3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-sulfanylbutanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C19H28N2O5S/c1-18(2,3)26-17(25)20-13(11-12-9-7-6-8-10-12)15(22)21-14(16(23)24)19(4,5)27/h6-10,13-14,27H,11H2,1-5H3,(H,20,25)(H,21,22)(H,23,24)