3-[1-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]-2-benzamido-propanoic acid

Systemtic Name: 3-[1-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]-2-benzamido-propanoic acid Openeye Name: 3-[1-(2-amino-3-phenyl-propanoyl)indol-3-yl]-2-benzamido-propanoic acid CAS Name: 3-[1-(2-amino-1-oxo-3-phenylpropyl)-3-indolyl]-2-benzamidopropanoic acid IUPAC Name: 3-[1-(2-amino-3-phenylpropanoyl)indol-3-yl]-2-benzamidopropanoic acid Traditional Name: 2-benzamido-3-(1-phenylalanylindol-3-yl)propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C27H25N3O4/c28-22(15-18-9-3-1-4-10-18)26(32)30-17-20(21-13-7-8-14-24(21)30)16-23(27(33)34)29-25(31)19-11-5-2-6-12-19/h1-14,17,22-23H,15-16,28H2,(H,29,31)(H,33,34)