2-[[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-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[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-propanoyl]amino]ethanoic acid Openeye Name: 2-[[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-propanoyl]amino]acetic acid CAS Name: 2-[[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]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[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-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[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-propanoyl]amino]acetic acid Formula: C50H61N9O9 MolecularWeight: 932.07424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=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)NCC(=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/C50H61N9O9/c1-31(60)44(50(68)58-40(46(64)54-30-43(61)62)26-33-17-7-3-8-18-33)59-47(65)39(23-13-14-24-51)55-49(67)42(28-35-29-53-38-22-12-11-21-36(35)38)57-48(66)41(27-34-19-9-4-10-20-34)56-45(63)37(52)25-32-15-5-2-6-16-32/h2-12,15-22,29,31,37,39-42,44,53,60H,13-14,23-28,30,51-52H2,1H3,(H,54,64)(H,55,67)(H,56,63)(H,57,66)(H,58,68)(H,59,65)(H,61,62)