methyl (3S)-3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl (3S)-3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: methyl (3S)-3-amino-4-(benzylamino)-4-oxo-butanoate CAS Name: (3S)-3-amino-4-oxo-4-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-amino-4-(benzylamino)-4-oxobutanoate Traditional Name: (3S)-3-amino-4-(benzylamino)-4-keto-butyric acid methyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NCC1=CC=CC=C1)N

Isomeric SMILES

COC(=O)C[C@@H](C(=O)NCC1=CC=CC=C1)N

InChI

InChI=1S/C12H16N2O3/c1-17-11(15)7-10(13)12(16)14-8-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,16)/t10-/m0/s1