2-[[2-[[6-azanyl-2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[3-(1H-indol-3-yl)-2-[[3-phenyl-2-(phenylalanylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propionic acid Formula: C48H58N8O8 MolecularWeight: 875.02292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O

InChI

InChI=1S/C48H58N8O8/c1-30(57)42(47(62)55-41(48(63)64)27-33-19-9-4-10-20-33)56-44(59)38(23-13-14-24-49)52-46(61)40(28-34-29-51-37-22-12-11-21-35(34)37)54-45(60)39(26-32-17-7-3-8-18-32)53-43(58)36(50)25-31-15-5-2-6-16-31/h2-12,15-22,29-30,36,38-42,51,57H,13-14,23-28,49-50H2,1H3,(H,52,61)(H,53,58)(H,54,60)(H,55,62)(H,56,59)(H,63,64)