(phenylmethyl) 4-methyl-2-[4-(4-methylsulfonylphenyl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 4-methyl-2-[4-(4-methylsulfonylphenyl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl 3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-2-[4-(4-methylsulfonylphenyl)butanoylamino]pentanoate CAS Name: 2-hydroxy-4-methyl-2-[[4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-3-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hydroxy-4-methyl-2-[4-(4-methylsulfonylphenyl)butanoylamino]-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 3-(benzyloxycarbonylamino)-2-hydroxy-2-[4-(4-mesylphenyl)butanoylamino]-4-methyl-valeric acid benzyl ester Formula: C32H38N2O8S MolecularWeight: 610.71772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OCC1=CC=CC=C1)(NC(=O)CCCC2=CC=C(C=C2)S(=O)(=O)C)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(C(=O)OCC1=CC=CC=C1)(NC(=O)CCCC2=CC=C(C=C2)S(=O)(=O)C)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H38N2O8S/c1-23(2)29(33-31(37)42-22-26-13-8-5-9-14-26)32(38,30(36)41-21-25-11-6-4-7-12-25)34-28(35)16-10-15-24-17-19-27(20-18-24)43(3,39)40/h4-9,11-14,17-20,23,29,38H,10,15-16,21-22H2,1-3H3,(H,33,37)(H,34,35)