2-[[2-[[2-[[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanyl-propanoyl]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]-3-sulfanyl-propanoyl]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]-3-sulfanyl-propanoyl]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]-3-mercapto-1-oxopropyl]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]-3-sulfanylpropanoyl]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]-3-mercapto-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C33H46N4O8S2 MolecularWeight: 690.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(CS)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(CS)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/C33H46N4O8S2/c1-18-13-21(38)14-19(2)22(18)16-24(36-31(44)45-32(3,4)5)27(39)35-25(17-46)29(41)34-23(15-20-11-9-8-10-12-20)28(40)37-26(30(42)43)33(6,7)47/h8-14,23-26,38,46-47H,15-17H2,1-7H3,(H,34,41)(H,35,39)(H,36,44)(H,37,40)(H,42,43)