6-azanyl-2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Formula: C39H48N8O7 MolecularWeight: 740.84782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H48N8O7/c40-18-10-9-17-30(39(53)54)44-38(52)33(21-26-23-43-29-16-8-7-15-27(26)29)47-37(51)32(20-25-13-5-2-6-14-25)46-36(50)31(19-24-11-3-1-4-12-24)45-35(49)28(41)22-34(42)48/h1-8,11-16,23,28,30-33,43H,9-10,17-22,40-41H2,(H2,42,48)(H,44,52)(H,45,49)(H,46,50)(H,47,51)(H,53,54)