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

Systemtic Name: 2-[2-[[6-azanyl-2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]butanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[[6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]butanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]butanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[[6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]butanoylamino]-3-phenyl-propionic acid Formula: C41H50N8O6 MolecularWeight: 750.8857

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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=CNC5=CC=CC=C54)N

Isomeric SMILES

CCC(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=CNC5=CC=CC=C54)N

InChI

InChI=1S/C41H50N8O6/c1-2-31(38(51)49-36(41(54)55)20-25-12-4-3-5-13-25)46-39(52)34(18-10-11-19-42)47-40(53)35(22-27-24-45-33-17-9-7-15-29(27)33)48-37(50)30(43)21-26-23-44-32-16-8-6-14-28(26)32/h3-9,12-17,23-24,30-31,34-36,44-45H,2,10-11,18-22,42-43H2,1H3,(H,46,52)(H,47,53)(H,48,50)(H,49,51)(H,54,55)