(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

C195H308F3N57O51S — CID 172875776

About (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

(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 (PubChem CID 172875776) has the molecular formula C195H308F3N57O51S and a molecular weight of 4356.02 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 172875776
• Molecular Formula: C195H308F3N57O51S
• Molecular Weight: 4356.02 g/mol
• Exact Mass: 4353.29
• IUPAC Name: (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
• SMILES: O=C(O)C(F)(F)F.[H]/N=C(\O)C[C@H](/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)C/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CCCCN)/N=C(/O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@@H](/N=C(\O)[C@H](C)/N=C(\O)[C@H](CCSC)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)/C(O)=N/[H]
• InChI: InChI=1S/C193H307N57O49S.C2HF3O2/c1-19-104(12)149(241-182(293)152(108(16)255)242-155(266)105(13)217-157(268)121(66-79-300-18)221-159(270)118(56-36-69-210-189(199)200)220-172(283)137(96-251)239-170(281)134(92-147(261)262)236-180(291)150(106(14)253)243-171(282)132(89-114-94-209-98-216-114)233-165(276)128(84-103(10)11)229-163(274)126(82-101(6)7)228-161(272)120(58-38-71-212-191(203)204)224-174(285)139-61-41-74-246(139)184(295)115(196)80-99(2)3)179(290)235-133(91-146(259)260)169(280)237-135(88-113-52-30-23-31-53-113)187(298)249-77-44-63-141(249)176(287)222-117(55-33-35-68-195)158(269)219-116(54-32-34-67-194)162(273)238-136(93-148(263)264)188(299)250-78-45-65-143(250)178(289)244-153(109(17)256)183(294)245-151(107(15)254)181(292)240-138(97-252)173(284)227-125(81-100(4)5)156(267)215-95-145(258)218-122(59-39-72-213-192(205)206)185(296)247-75-43-64-142(247)177(288)234-131(87-112-50-28-22-29-51-112)168(279)232-130(86-111-48-26-21-27-49-111)167(278)230-127(83-102(8)9)164(275)231-129(85-110-46-24-20-25-47-110)166(277)225-123(60-40-73-214-193(207)208)186(297)248-76-42-62-140(248)175(286)223-119(57-37-70-211-190(201)202)160(271)226-124(154(198)265)90-144(197)257;3-2(4,5)1(6)7/h20-31,46-53,94,98-109,115-143,149-153,251-256H,19,32-45,54-93,95-97,194-196H2,1-18H3,(H2,197,257)(H2,198,265)(H,209,216)(H,215,267)(H,217,268)(H,218,258)(H,219,269)(H,220,283)(H,221,270)(H,222,287)(H,223,286)(H,224,285)(H,225,277)(H,226,271)(H,227,284)(H,228,272)(H,229,274)(H,230,278)(H,231,275)(H,232,279)(H,233,276)(H,234,288)(H,235,290)(H,236,291)(H,237,280)(H,238,273)(H,239,281)(H,240,292)(H,241,293)(H,242,266)(H,243,282)(H,244,289)(H,245,294)(H,259,260)(H,261,262)(H,263,264)(H4,199,200,210)(H4,201,202,211)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214);(H,6,7)/t104-,105-,106+,107+,108+,109+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,149-,150-,151-,152-,153-;/m0./s1
• InChIKey: BVDHSKWINGQBGF-PRNNQPPSSA-N
• XLogP: 12.24
• TPSA: 1854.23 Ų
• H-Bond Donors: 63
• H-Bond Acceptors: 57
• Rotatable Bonds: 133
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4356.02
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	63
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is O=C(O)C(F)(F)F.[H]/N=C(\O)C[C@H](/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](Cc1ccccc1)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)C/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CCCCN)/N=C(/O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@@H](/N=C(\O)[C@H](C)/N=C(\O)[C@H](CCSC)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)/C(O)=N/[H].

What is the InChIKey of (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?

The InChIKey is BVDHSKWINGQBGF-PRNNQPPSSA-N. The full InChI is InChI=1S/C193H307N57O49S.C2HF3O2/c1-19-104(12)149(241-182(293)152(108(16)255)242-155(266)105(13)217-157(268)121(66-79-300-18)221-159(270)118(56-36-69-210-189(199)200)220-172(283)137(96-251)239-170(281)134(92-147(261)262)236-180(291)150(106(14)253)243-171(282)132(89-114-94-209-98-216-114)233-165(276)128(84-103(10)11)229-163(274)126(82-101(6)7)228-161(272)120(58-38-71-212-191(203)204)224-174(285)139-61-41-74-246(139)184(295)115(196)80-99(2)3)179(290)235-133(91-146(259)260)169(280)237-135(88-113-52-30-23-31-53-113)187(298)249-77-44-63-141(249)176(287)222-117(55-33-35-68-195)158(269)219-116(54-32-34-67-194)162(273)238-136(93-148(263)264)188(299)250-78-45-65-143(250)178(289)244-153(109(17)256)183(294)245-151(107(15)254)181(292)240-138(97-252)173(284)227-125(81-100(4)5)156(267)215-95-145(258)218-122(59-39-72-213-192(205)206)185(296)247-75-43-64-142(247)177(288)234-131(87-112-50-28-22-29-51-112)168(279)232-130(86-111-48-26-21-27-49-111)167(278)230-127(83-102(8)9)164(275)231-129(85-110-46-24-20-25-47-110)166(277)225-123(60-40-73-214-193(207)208)186(297)248-76-42-62-140(248)175(286)223-119(57-37-70-211-190(201)202)160(271)226-124(154(198)265)90-144(197)257;3-2(4,5)1(6)7/h20-31,46-53,94,98-109,115-143,149-153,251-256H,19,32-45,54-93,95-97,194-196H2,1-18H3,(H2,197,257)(H2,198,265)(H,209,216)(H,215,267)(H,217,268)(H,218,258)(H,219,269)(H,220,283)(H,221,270)(H,222,287)(H,223,286)(H,224,285)(H,225,277)(H,226,271)(H,227,284)(H,228,272)(H,229,274)(H,230,278)(H,231,275)(H,232,279)(H,233,276)(H,234,288)(H,235,290)(H,236,291)(H,237,280)(H,238,273)(H,239,281)(H,240,292)(H,241,293)(H,242,266)(H,243,282)(H,244,289)(H,245,294)(H,259,260)(H,261,262)(H,263,264)(H4,199,200,210)(H4,201,202,211)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214);(H,6,7)/t104-,105-,106+,107+,108+,109+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,149-,150-,151-,152-,153-;/m0./s1.

What are the key properties of (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?

(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 has a molecular weight of 4356.02 g/mol, XLogP of 12.24, 133 rotatable bonds, 63 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 172875776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).