(phenylmethyl) (3S)-3-azanyl-4-(2-cyclohexylethylamino)-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-(2-cyclohexylethylamino)-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-(2-cyclohexylethylamino)-4-oxo-butanoate CAS Name: (3S)-3-amino-4-(2-cyclohexylethylamino)-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-(2-cyclohexylethylamino)-4-oxobutanoate Traditional Name: (3S)-3-amino-4-(2-cyclohexylethylamino)-4-keto-butyric acid benzyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1CCC(CC1)CCNC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C19H28N2O3/c20-17(13-18(22)24-14-16-9-5-2-6-10-16)19(23)21-12-11-15-7-3-1-4-8-15/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,20H2,(H,21,23)/t17-/m0/s1