methyl 2-acetamido-5-[[1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenylmethoxycarbonylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 2-acetamido-5-[[1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenylmethoxycarbonylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 2-acetamido-5-[[1-(benzyloxycarbonylsulfanylmethyl)-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-acetamido-5-[[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-(phenylmethoxycarbonylthio)propan-2-yl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 2-acetamido-5-[[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylmethoxycarbonylsulfanylpropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-acetamido-5-[[1-[(carbobenzoxythio)methyl]-2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl]amino]-5-keto-valeric acid methyl ester Formula: C22H29N3O9S MolecularWeight: 511.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CSC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCC(=O)NC(CSC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)OC)C(=O)OC

InChI

InChI=1S/C22H29N3O9S/c1-14(26)24-16(21(30)33-3)9-10-18(27)25-17(20(29)23-11-19(28)32-2)13-35-22(31)34-12-15-7-5-4-6-8-15/h4-8,16-17H,9-13H2,1-3H3,(H,23,29)(H,24,26)(H,25,27)