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

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O4/c27-13-7-6-12-22(26(34)35)30-25(33)23(14-17-8-2-1-3-9-17)31-24(32)20(28)15-18-16-29-21-11-5-4-10-19(18)21/h1-5,8-11,16,20,22-23,29H,6-7,12-15,27-28H2,(H,30,33)(H,31,32)(H,34,35)