2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-13(2)11-16(17(22)20-15(18(23)24)9-10-27-3)21-19(25)26-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)