methyl 4-[[(2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate CAS Name: 4-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-14(2)19(23-18(24)13-28-17-7-5-4-6-8-17)20(25)22-16-11-9-15(10-12-16)21(26)27-3/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1