(phenylmethyl) N-[(2S)-6-(2-methylsulfanylethanoylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-(2-methylsulfanylethanoylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[(2-methylsulfanylacetyl)amino]-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-[[2-(methylthio)-1-oxoethyl]amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-[(2-methylsulfanylacetyl)amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[[2-(methylthio)acetyl]amino]-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC(=O)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4S/c1-31-17-21(27)24-15-9-8-14-20(22(28)25-19-12-6-3-7-13-19)26-23(29)30-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t20-/m0/s1