[1-[[1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methyl-pentanoate

Systemtic Name: [1-[[1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methyl-pentanoate Openeye Name: 1-[[1-(benzylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]propyl 2-benzamido-4-methyl-pentanoate CAS Name: 2-benzamido-4-methylpentanoic acid [1-[[1-methoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl)amino]-1-oxobutan-2-yl] 2-benzamido-4-methylpentanoate Traditional Name: 2-benzamido-4-methyl-valeric acid 1-[[1-[(benzylthio)methyl]-2-keto-2-methoxy-ethyl]carbamoyl]propyl ester Formula: C28H36N2O6S MolecularWeight: 528.66024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H36N2O6S/c1-5-24(26(32)30-23(27(33)35-4)18-37-17-20-12-8-6-9-13-20)36-28(34)22(16-19(2)3)29-25(31)21-14-10-7-11-15-21/h6-15,19,22-24H,5,16-18H2,1-4H3,(H,29,31)(H,30,32)