ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-methylsulfanyl-2-oxidanylidene-pentanoate

Systemtic Name: ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-methylsulfanyl-2-oxidanylidene-pentanoate Openeye Name: ethyl 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-methylsulfanyl-2-oxo-pentanoate CAS Name: 3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-(methylthio)-2-oxopentanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-methylsulfanyl-2-oxopentanoate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-5-(methylthio)valeric acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O6S/c1-5-29-21(27)19(25)17(11-12-31-4)23-20(26)18(13-15(2)3)24-22(28)30-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3,(H,23,26)(H,24,28)