methyl 4-methyl-2-[4-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-[4-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-2-[4-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)butanoylamino]pentanoate CAS Name: 2-hydroxy-4-methyl-2-[[4-(4-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienyl)-1-oxobutyl]amino]-3-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-methyl-2-[4-(4-methyl-6-sulfanylidenecyclohexa-1,3-dien-1-yl)butanoylamino]-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-2-[4-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)butanoylamino]valeric acid methyl ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=S)C1)CCCC(=O)NC(C(C(C)C)NC(=O)OCC2=CC=CC=C2)(C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C(=S)C1)CCCC(=O)NC(C(C(C)C)NC(=O)OCC2=CC=CC=C2)(C(=O)OC)O

InChI

InChI=1S/C26H34N2O6S/c1-17(2)23(27-25(31)34-16-19-9-6-5-7-10-19)26(32,24(30)33-4)28-22(29)12-8-11-20-14-13-18(3)15-21(20)35/h5-7,9-10,13-14,17,23,32H,8,11-12,15-16H2,1-4H3,(H,27,31)(H,28,29)