2-[[6-azanyl-2-[[6-azanyl-2-[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[6-azanyl-2-[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C51H76N16O9 MolecularWeight: 1057.25094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=CN4)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C51H76N16O9/c1-30(2)43(50(75)76)67-48(73)38(18-9-11-21-53)63-46(71)37(17-8-10-20-52)62-42(68)28-60-45(70)41(24-32-26-59-36-16-7-6-15-34(32)36)66-47(72)39(19-12-22-58-51(55)56)64-49(74)40(23-31-13-4-3-5-14-31)65-44(69)35(54)25-33-27-57-29-61-33/h3-7,13-16,26-27,29-30,35,37-41,43,59H,8-12,17-25,28,52-54H2,1-2H3,(H,57,61)(H,60,70)(H,62,68)(H,63,71)(H,64,74)(H,65,69)(H,66,72)(H,67,73)(H,75,76)(H4,55,56,58)