[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino] 4-methylbenzoate

Systemtic Name: [[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino] 4-methylbenzoate Openeye Name: [[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=O)C(CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C19H21N3O4/c1-13-7-9-15(10-8-13)19(25)26-22-18(24)16(21-17(23)12-20)11-14-5-3-2-4-6-14/h2-10,16H,11-12,20H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1