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

Systemtic Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-4-phenyl-butanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-phenylbutyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-3-sulfanylbutanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-4-phenyl-butanoyl]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)NC(CCC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)27-18(26)21-14(12-11-13-9-7-6-8-10-13)16(23)22-15(17(24)25)20(4,5)28/h6-10,14-15,28H,11-12H2,1-5H3,(H,21,26)(H,22,23)(H,24,25)