2-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)butanediamide

Systemtic Name: 2-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)butanediamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]butanediamide CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanediamide IUPAC Name: 2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanediamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]succinamide Formula: C30H39N7O5 MolecularWeight: 577.67456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C30H39N7O5/c1-2-3-12-23(35-28(40)21(31)15-19-17-34-22-13-8-7-11-20(19)22)29(41)37-25(16-26(32)38)30(42)36-24(27(33)39)14-18-9-5-4-6-10-18/h4-11,13,17,21,23-25,34H,2-3,12,14-16,31H2,1H3,(H2,32,38)(H2,33,39)(H,35,40)(H,36,42)(H,37,41)