2-[[2-(2-methylphenyl)-4-(1,3-thiazol-4-ylmethoxycarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(1,3-thiazol-4-ylmethoxycarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(thiazol-4-ylmethoxycarbonylamino)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[oxo(4-thiazolylmethoxy)methyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(1,3-thiazol-4-ylmethoxycarbonylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(thiazol-4-ylmethoxycarbonylamino)benzoyl]amino]butyric acid Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)OCC3=CSC=N3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)OCC3=CSC=N3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C24H25N3O5S2/c1-15-5-3-4-6-18(15)20-11-16(26-24(31)32-12-17-13-34-14-25-17)7-8-19(20)22(28)27-21(23(29)30)9-10-33-2/h3-8,11,13-14,21H,9-10,12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)