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

Systemtic Name: 3-methyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-methyl-butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-12(2)15(17(22)23)20-16(21)14(9-10-26-3)19-18(24)25-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,19,24)(H,20,21)(H,22,23)