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

Systemtic Name: (phenylmethyl) N-[(2S)-6-(2-methylsulfonylethanoylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[(2-methylsulfonylacetyl)amino]-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-[(2-methylsulfonyl-1-oxoethyl)amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-[(2-methylsulfonylacetyl)amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[(2-mesylacetyl)amino]-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-33(30,31)17-21(27)24-15-9-8-14-20(22(28)25-19-12-6-3-7-13-19)26-23(29)32-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t20-/m0/s1