2-[[4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-3-phenyl-propionic acid Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H28N4O5/c1-18(34)31-25(16-21-17-30-24-10-6-5-9-23(21)24)28(36)32-22-13-11-20(12-14-22)27(35)33-26(29(37)38)15-19-7-3-2-4-8-19/h2-14,17,25-26,30H,15-16H2,1H3,(H,31,34)(H,32,36)(H,33,35)(H,37,38)