2-azanyl-3-(5-chloranyl-1H-indol-2-yl)-3-oxidanylidene-2-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: 2-azanyl-3-(5-chloranyl-1H-indol-2-yl)-3-oxidanylidene-2-(3-phenylpropanoylamino)propanoic acid Openeye Name: 2-amino-3-(5-chloro-1H-indol-2-yl)-3-oxo-2-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-amino-3-(5-chloro-1H-indol-2-yl)-3-oxo-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 2-amino-3-(5-chloro-1H-indol-2-yl)-3-oxo-2-(3-phenylpropanoylamino)propanoic acid Traditional Name: 2-amino-3-(5-chloro-1H-indol-2-yl)-2-(hydrocinnamoylamino)-3-keto-propionic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)N

InChI

InChI=1S/C20H18ClN3O4/c21-14-7-8-15-13(10-14)11-16(23-15)18(26)20(22,19(27)28)24-17(25)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,23H,6,9,22H2,(H,24,25)(H,27,28)