2-azanyl-3-oxidanylidene-3-[1-(phenylmethyl)indol-3-yl]-2-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-[1-(phenylmethyl)indol-3-yl]-2-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-amino-3-(1-benzylindol-3-yl)-3-oxo-2-thiazol-4-yl-propanoic acid CAS Name: 2-amino-3-oxo-3-[1-(phenylmethyl)-3-indolyl]-2-(4-thiazolyl)propanoic acid IUPAC Name: 2-amino-3-(1-benzylindol-3-yl)-3-oxo-2-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-amino-3-(1-benzylindol-3-yl)-3-keto-2-thiazol-4-yl-propionic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(C4=CSC=N4)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(C4=CSC=N4)(C(=O)O)N

InChI

InChI=1S/C21H17N3O3S/c22-21(20(26)27,18-12-28-13-23-18)19(25)16-11-24(10-14-6-2-1-3-7-14)17-9-5-4-8-15(16)17/h1-9,11-13H,10,22H2,(H,26,27)