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

Systemtic Name: 3-methyl-2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylbutanoic acid Traditional Name: 2-[[2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)27-18(26)22(6)14(12-13-10-8-7-9-11-13)16(23)21-15(17(24)25)20(4,5)28/h7-11,14-15,28H,12H2,1-6H3,(H,21,23)(H,24,25)