[[(2S)-2-[2-(methylamino)ethanoylamino]-3-phenyl-propanoyl]amino] benzoate

Systemtic Name: [[(2S)-2-[2-(methylamino)ethanoylamino]-3-phenyl-propanoyl]amino] benzoate Openeye Name: [[(2S)-2-[[2-(methylamino)acetyl]amino]-3-phenyl-propanoyl]amino] benzoate CAS Name: benzoic acid [[(2S)-2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[(2S)-2-[[2-(methylamino)acetyl]amino]-3-phenylpropanoyl]amino] benzoate Traditional Name: benzoic acid [[(2S)-3-phenyl-2-(sarcosylamino)propanoyl]amino] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2

Isomeric SMILES

CNCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2

InChI

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