(phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-1-benzyl-2-(dimethylamino)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[[(1S)-1-benzyl-2-(dimethylamino)-2-keto-ethyl]amino]-4-keto-butyric acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C22H27N3O4/c1-25(2)22(28)19(13-16-9-5-3-6-10-16)24-21(27)18(23)14-20(26)29-15-17-11-7-4-8-12-17/h3-12,18-19H,13-15,23H2,1-2H3,(H,24,27)/t18-,19-/m0/s1