2-[[2-[[2-[[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[[3-(4-hydroxy-2,6-dimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-mercapto-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[[3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-mercapto-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C34H48N4O8S2 MolecularWeight: 704.89692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(=O)O)C(C)(C)S)NC(=O)OC(C)(C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(=O)O)C(C)(C)S)NC(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C34H48N4O8S2/c1-19-15-22(39)16-20(2)23(19)18-26(37-32(45)46-33(3,4)5)29(41)35-24(13-14-47)28(40)36-25(17-21-11-9-8-10-12-21)30(42)38-27(31(43)44)34(6,7)48/h8-12,15-16,24-27,39,47-48H,13-14,17-18H2,1-7H3,(H,35,41)(H,36,40)(H,37,45)(H,38,42)(H,43,44)