methyl (2S)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H22N2O5/c1-27-20(25)16(14-15-8-3-2-4-9-15)22-19(24)12-7-13-23-17-10-5-6-11-18(17)28-21(23)26/h2-6,8-11,16H,7,12-14H2,1H3,(H,22,24)/t16-/m0/s1