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

Systemtic Name: 2-acetamido-3-[1-(2-azanyl-3-phenyl-propanoyl)indol-3-yl]propanoic acid Openeye Name: 2-acetamido-3-[1-(2-amino-3-phenyl-propanoyl)indol-3-yl]propanoic acid CAS Name: 2-acetamido-3-[1-(2-amino-1-oxo-3-phenylpropyl)-3-indolyl]propanoic acid IUPAC Name: 2-acetamido-3-[1-(2-amino-3-phenylpropanoyl)indol-3-yl]propanoic acid Traditional Name: 2-acetamido-3-(1-phenylalanylindol-3-yl)propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-14(26)24-19(22(28)29)12-16-13-25(20-10-6-5-9-17(16)20)21(27)18(23)11-15-7-3-2-4-8-15/h2-10,13,18-19H,11-12,23H2,1H3,(H,24,26)(H,28,29)