6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid

C143H230N42O37S7 — CID 163196019

About 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid

6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid (PubChem CID 163196019) has the molecular formula C143H230N42O37S7 and a molecular weight of 3354.14 g/mol. Its IUPAC name is 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid
• PubChem CID: 163196019
• Molecular Formula: C143H230N42O37S7
• Molecular Weight: 3354.14 g/mol
• Exact Mass: 3351.55
• IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid
• SMILES: [H]/N=C(\O)CC(/N=C(\O)C1CSC(C)C(/N=C(\O)C(CCCCN)/N=C(\O)C2CSC(C)C(/N=C(\O)C3CSCC(/N=C(\O)C(=CC)/N=C(\O)C(N)C(C)CC)/C(O)=N/C(C(C)CC)/C(O)=N\C(=C)/C(O)=N/C(CC(C)C)/C(O)=N/3)C(=O)N3CCCC3/C(O)=N/C/C(O)=N/2)/C(O)=N/C/C(O)=N\C(C)/C(O)=N\C(CC(C)C)/C(O)=N/C(CCSC)/C(O)=N\C/C(O)=N/1)/C(O)=N/C(CCSC)/C(O)=N/C(CCCCN)/C(O)=N/C1/C(O)=N\C(C)/C(O)=N\C2/C(O)=N\C(CSC1C)/C(O)=N\C(Cc1cnc[nH]1)/C(O)=N\C(/C(O)=N/C(CO)/C(O)=N/C(/C(O)=N/C(Cc1cnc[nH]1)/C(O)=N/C(/C(O)=N/C(=C)/C(O)=N/C(CCCCN)C(=O)O)C(C)C)C(C)CC)CSC2C
• InChI: InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)
• InChIKey: NVNLLIYOARQCIX-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 1326.24 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 49
• Rotatable Bonds: 67
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3354.14
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid (CID 163196019) is 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid is [H]/N=C(\O)CC(/N=C(\O)C1CSC(C)C(/N=C(\O)C(CCCCN)/N=C(\O)C2CSC(C)C(/N=C(\O)C3CSCC(/N=C(\O)C(=CC)/N=C(\O)C(N)C(C)CC)/C(O)=N/C(C(C)CC)/C(O)=N\C(=C)/C(O)=N/C(CC(C)C)/C(O)=N/3)C(=O)N3CCCC3/C(O)=N/C/C(O)=N/2)/C(O)=N/C/C(O)=N\C(C)/C(O)=N\C(CC(C)C)/C(O)=N/C(CCSC)/C(O)=N\C/C(O)=N/1)/C(O)=N/C(CCSC)/C(O)=N/C(CCCCN)/C(O)=N/C1/C(O)=N\C(C)/C(O)=N\C2/C(O)=N\C(CSC1C)/C(O)=N\C(Cc1cnc[nH]1)/C(O)=N\C(/C(O)=N/C(CO)/C(O)=N/C(/C(O)=N/C(Cc1cnc[nH]1)/C(O)=N/C(/C(O)=N/C(=C)/C(O)=N/C(CCCCN)C(=O)O)C(C)C)C(C)CC)CSC2C.

What is the InChIKey of 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid?

The InChIKey is NVNLLIYOARQCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222).

What are the key properties of 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid?

6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid has a molecular weight of 3354.14 g/mol, XLogP of 16.47, 67 rotatable bonds, 42 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[7-[[6-amino-2-[[2-[[2-[[[21-[[6-amino-2-[[[3-[[[15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-butan-2-yl-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-dien-7-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-1-thia-4,7,10,13,16,19-hexazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-3,6,12,15,21-pentahydroxy-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyprop-2-enylidene]amino]hexanoic acid is sourced from PubChem (CID 163196019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).