(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid

C143H212F3N43O43 — CID 172873511

IUPAC(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\O)C[C@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1c[nH]c2ccccc12)/N=C(\O)CN)[C@@H](C)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](C)/C(O)=N/C/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/CC(=O)N1CCC[C@H]1/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](C)/C(O)=N/[C@H](/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/C/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[H])[C@@H](C)O)[C@@H](C)CC
InChIInChI=1S/C141H211N43O41.C2HF3O2/c1-15-71(10)113(139(224)177-100(52-112(199)200)132(217)173-97(49-105(144)191)129(214)171-96(48-81-57-151-66-159-81)128(213)166-86(30-23-37-152-141(147)148)122(207)178-102(62-186)136(221)169-92(43-76-25-17-16-18-26-76)127(212)180-103(63-187)137(222)174-99(51-111(197)198)131(216)165-85(29-21-22-36-142)121(206)170-94(46-79-55-149-64-157-79)120(205)155-59-109(195)163-88(40-68(4)5)133(218)182-114(74(13)188)116(146)201)181-118(203)73(12)161-123(208)95(47-80-56-150-65-158-80)175-138(223)104-31-24-38-184(104)110(196)60-156-119(204)87(39-67(2)3)167-124(209)89(41-69(6)7)168-126(211)91(44-77-32-34-82(190)35-33-77)164-108(194)58-154-117(202)72(11)160-135(220)101(61-185)179-130(215)98(50-106(145)192)172-125(210)90(42-70(8)9)176-140(225)115(75(14)189)183-134(219)93(162-107(193)53-143)45-78-54-153-84-28-20-19-27-83(78)84;3-2(4,5)1(6)7/h16-20,25-28,32-35,54-57,64-75,85-104,113-115,153,185-190H,15,21-24,29-31,36-53,58-63,142-143H2,1-14H3,(H2,144,191)(H2,145,192)(H2,146,201)(H,149,157)(H,150,158)(H,151,159)(H,154,202)(H,155,205)(H,156,204)(H,160,220)(H,161,208)(H,162,193)(H,163,195)(H,164,194)(H,165,216)(H,166,213)(H,167,209)(H,168,211)(H,169,221)(H,170,206)(H,171,214)(H,172,210)(H,173,217)(H,174,222)(H,175,223)(H,176,225)(H,177,224)(H,178,207)(H,179,215)(H,180,212)(H,181,203)(H,182,218)(H,183,219)(H,197,198)(H,199,200)(H4,147,148,152);(H,6,7)/t71-,72-,73-,74+,75+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-;/m0./s1
InChIKeyFLJGXSBWVFANHA-DKFOPZTRSA-N
MW3278.52 g/mol
LogP10.79
Rot. Bonds99

About (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid

(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 172873511) has the molecular formula C143H212F3N43O43 and a molecular weight of 3278.52 g/mol. Its IUPAC name is (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid
PubChem CID172873511
Molecular FormulaC143H212F3N43O43
Molecular Weight3278.52 g/mol
Exact Mass3276.57
IUPAC Name(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\O)C[C@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1c[nH]c2ccccc12)/N=C(\O)CN)[C@@H](C)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](C)/C(O)=N/C/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/CC(=O)N1CCC[C@H]1/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](C)/C(O)=N/[C@H](/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/C/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[H])[C@@H](C)O)[C@@H](C)CC
InChIInChI=1S/C141H211N43O41.C2HF3O2/c1-15-71(10)113(139(224)177-100(52-112(199)200)132(217)173-97(49-105(144)191)129(214)171-96(48-81-57-151-66-159-81)128(213)166-86(30-23-37-152-141(147)148)122(207)178-102(62-186)136(221)169-92(43-76-25-17-16-18-26-76)127(212)180-103(63-187)137(222)174-99(51-111(197)198)131(216)165-85(29-21-22-36-142)121(206)170-94(46-79-55-149-64-157-79)120(205)155-59-109(195)163-88(40-68(4)5)133(218)182-114(74(13)188)116(146)201)181-118(203)73(12)161-123(208)95(47-80-56-150-65-158-80)175-138(223)104-31-24-38-184(104)110(196)60-156-119(204)87(39-67(2)3)167-124(209)89(41-69(6)7)168-126(211)91(44-77-32-34-82(190)35-33-77)164-108(194)58-154-117(202)72(11)160-135(220)101(61-185)179-130(215)98(50-106(145)192)172-125(210)90(42-70(8)9)176-140(225)115(75(14)189)183-134(219)93(162-107(193)53-143)45-78-54-153-84-28-20-19-27-83(78)84;3-2(4,5)1(6)7/h16-20,25-28,32-35,54-57,64-75,85-104,113-115,153,185-190H,15,21-24,29-31,36-53,58-63,142-143H2,1-14H3,(H2,144,191)(H2,145,192)(H2,146,201)(H,149,157)(H,150,158)(H,151,159)(H,154,202)(H,155,205)(H,156,204)(H,160,220)(H,161,208)(H,162,193)(H,163,195)(H,164,194)(H,165,216)(H,166,213)(H,167,209)(H,168,211)(H,169,221)(H,170,206)(H,171,214)(H,172,210)(H,173,217)(H,174,222)(H,175,223)(H,176,225)(H,177,224)(H,178,207)(H,179,215)(H,180,212)(H,181,203)(H,182,218)(H,183,219)(H,197,198)(H,199,200)(H4,147,148,152);(H,6,7)/t71-,72-,73-,74+,75+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-;/m0./s1
InChIKeyFLJGXSBWVFANHA-DKFOPZTRSA-N
XLogP10.79
TPSA1481.53 Ų
H-Bond Donors51
H-Bond Acceptors46
Rotatable Bonds99
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003278.52
LogP ≤ 510.79
H-Bond Donors ≤ 551
H-Bond Acceptors ≤ 1046

Analyze (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3S)-4-[(2S)-1-[(2S)-2-[N-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-2-[N-[(2S,3R)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-5-carbamimidamido-1-[(2S)-1,4-dihydroxy-1,4-diiminobutan-2-yl]imino-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]imino-3-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid
CID 172875776
(4S)-5-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[(2S)-1,5-dihydroxy-1-[(2S,3S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-3-(1H-imidazol-5-yl)propan-2-yl]iminopropan-2-yl]imino-4-methylpentan-2-yl]imino-3-methylpentan-2-yl]imino-5-iminopentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-hydroxypentanoic acid
CID 175647822
(2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-2-[N-[(2S,3S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-6,9,12,15,18-pentahydroxy-7,13-bis[(1R)-1-hydroxyethyl]-16-(2-hydroxy-2-iminoethyl)-10-methyl-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]pentanediimidic acid
CID 126456229
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-4-methylpentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamidopentanoic acid
CID 175647805
4-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1,3-dihydroxypropylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-[1-[1-[1-[2-[N-(carboxymethyl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-hydroxy-4-imino-1-oxobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid
CID 163185060
(4S)-5-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-2-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-2-[N-[(1S)-4-carbamimidamido-1-carboxybutyl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-5-hydroxy-5-imino-1-oxopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-4-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-octanoyloxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-3-hydroxypropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-hydroxypentanoic acid
CID 175647762
(4S)-5-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-hydroxy-1-iminopentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-5-hydroxypentanoic acid
CID 175647769
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-[2-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-1-[(2S)-4-carboxy-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]imino-4-methylpentan-2-yl]iminoethyl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-5-hydroxypentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 170844851
3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-4-[5-carbamimidamido-1-(1-carboxy-2-phenylethyl)imino-1-hydroxypentan-2-yl]imino-4-hydroxybutanoic acid
CID 156963392
(2S)-1-[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-3-(4-chlorophenyl)-1-hydroxy-2-[[(2R)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-naphthalen-2-ylpropylidene]amino]propylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-6-[(N,N'-diethylcarbamimidoyl)amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]pentanoyl]-N-[(2R)-1-hydroxy-1-iminopropan-2-yl]pyrrolidine-2-carboximidic acid
CID 102057822
(4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid
CID 163191992
4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid
CID 175647753

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid (CID 172873511) is (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]/N=C(\O)C[C@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1c[nH]c2ccccc12)/N=C(\O)CN)[C@@H](C)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](C)/C(O)=N/C/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/CC(=O)N1CCC[C@H]1/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](C)/C(O)=N/[C@H](/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/C/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@H](/C(O)=N/[H])[C@@H](C)O)[C@@H](C)CC.
What is the InChIKey of (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FLJGXSBWVFANHA-DKFOPZTRSA-N. The full InChI is InChI=1S/C141H211N43O41.C2HF3O2/c1-15-71(10)113(139(224)177-100(52-112(199)200)132(217)173-97(49-105(144)191)129(214)171-96(48-81-57-151-66-159-81)128(213)166-86(30-23-37-152-141(147)148)122(207)178-102(62-186)136(221)169-92(43-76-25-17-16-18-26-76)127(212)180-103(63-187)137(222)174-99(51-111(197)198)131(216)165-85(29-21-22-36-142)121(206)170-94(46-79-55-149-64-157-79)120(205)155-59-109(195)163-88(40-68(4)5)133(218)182-114(74(13)188)116(146)201)181-118(203)73(12)161-123(208)95(47-80-56-150-65-158-80)175-138(223)104-31-24-38-184(104)110(196)60-156-119(204)87(39-67(2)3)167-124(209)89(41-69(6)7)168-126(211)91(44-77-32-34-82(190)35-33-77)164-108(194)58-154-117(202)72(11)160-135(220)101(61-185)179-130(215)98(50-106(145)192)172-125(210)90(42-70(8)9)176-140(225)115(75(14)189)183-134(219)93(162-107(193)53-143)45-78-54-153-84-28-20-19-27-83(78)84;3-2(4,5)1(6)7/h16-20,25-28,32-35,54-57,64-75,85-104,113-115,153,185-190H,15,21-24,29-31,36-53,58-63,142-143H2,1-14H3,(H2,144,191)(H2,145,192)(H2,146,201)(H,149,157)(H,150,158)(H,151,159)(H,154,202)(H,155,205)(H,156,204)(H,160,220)(H,161,208)(H,162,193)(H,163,195)(H,164,194)(H,165,216)(H,166,213)(H,167,209)(H,168,211)(H,169,221)(H,170,206)(H,171,214)(H,172,210)(H,173,217)(H,174,222)(H,175,223)(H,176,225)(H,177,224)(H,178,207)(H,179,215)(H,180,212)(H,181,203)(H,182,218)(H,183,219)(H,197,198)(H,199,200)(H4,147,148,152);(H,6,7)/t71-,72-,73-,74+,75+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-;/m0./s1.
What are the key properties of (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid?
(3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 3278.52 g/mol, XLogP of 10.79, 99 rotatable bonds, 51 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-6-amino-1-[(2S)-1-[2-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxybutanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172873511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).