2-[[3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S/c1-18(2,3)27-17(26)21-13(10-11-6-8-12(20)9-7-11)15(23)22-14(16(24)25)19(4,5)28/h6-9,13-14,28H,10H2,1-5H3,(H,21,26)(H,22,23)(H,24,25)