(phenylmethyl) N-[(2S)-5-azanyl-1-[(4-methylsulfanylphenyl)amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-azanyl-1-[(4-methylsulfanylphenyl)amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-4-amino-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxo-butyl]carbamate CAS Name: N-[(2S)-5-amino-1-[4-(methylthio)anilino]-1,5-dioxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-5-amino-1-(4-methylsulfanylanilino)-1,5-dioxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-amino-4-keto-1-[[4-(methylthio)phenyl]carbamoyl]butyl]carbamic acid benzyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-28-16-9-7-15(8-10-16)22-19(25)17(11-12-18(21)24)23-20(26)27-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H2,21,24)(H,22,25)(H,23,26)/t17-/m0/s1