ethyl (2S)-2-[(3R)-4-(2-azanylethanoyl)-3-(2-methylsulfanylethyl)-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(3R)-4-(2-azanylethanoyl)-3-(2-methylsulfanylethyl)-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(3R)-4-(2-aminoacetyl)-3-(2-methylsulfanylethyl)-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3R)-4-(2-amino-1-oxoethyl)-3-[2-(methylthio)ethyl]-2-oxo-1-piperazinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3R)-4-(2-aminoacetyl)-3-(2-methylsulfanylethyl)-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3R)-4-glycyl-2-keto-3-[2-(methylthio)ethyl]piperazino]-3-phenyl-propionic acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2CCN(C(C2=O)CCSC)C(=O)CN

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N2CCN([C@@H](C2=O)CCSC)C(=O)CN

InChI

InChI=1S/C20H29N3O4S/c1-3-27-20(26)17(13-15-7-5-4-6-8-15)23-11-10-22(18(24)14-21)16(19(23)25)9-12-28-2/h4-8,16-17H,3,9-14,21H2,1-2H3/t16-,17+/m1/s1