ethyl (2S)-2-[(3R)-4-(2-azanylethanoyl)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[(3R)-4-(2-azanylethanoyl)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[(3R)-4-(2-aminoacetyl)-3-benzyl-2-oxo-piperazin-1-yl]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(3R)-4-(2-amino-1-oxoethyl)-2-oxo-3-(phenylmethyl)-1-piperazinyl]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3R)-4-(2-aminoacetyl)-3-benzyl-2-oxopiperazin-1-yl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3R)-3-benzyl-4-glycyl-2-keto-piperazino]-4-(methylthio)butyric acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N1CCN(C(C1=O)CC2=CC=CC=C2)C(=O)CN

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N1CCN([C@@H](C1=O)CC2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C20H29N3O4S/c1-3-27-20(26)16(9-12-28-2)23-11-10-22(18(24)14-21)17(19(23)25)13-15-7-5-4-6-8-15/h4-8,16-17H,3,9-14,21H2,1-2H3/t16-,17+/m0/s1