2-[[5-methyl-2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]methyl-phenyl-carbamoyl]-3-phenyl-butanoic acid

Systemtic Name: 2-[[5-methyl-2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]methyl-phenyl-carbamoyl]-3-phenyl-butanoic acid Openeye Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-thiazol-4-yl]methyl-phenyl-carbamoyl]-3-phenyl-butanoic acid CAS Name: 2-[[N-[[5-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-thiazolyl]methyl]anilino]-oxomethyl]-3-phenylbutanoic acid IUPAC Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-1,3-thiazol-4-yl]methyl-phenylcarbamoyl]-3-phenylbutanoic acid Traditional Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-thiazol-4-yl]methyl-phenyl-carbamoyl]-3-phenyl-butyric acid Formula: C30H30N4O4S MolecularWeight: 542.6486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)NCC2=CC=CC=C2)CN(C3=CC=CC=C3)C(=O)C(C(C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)NCC2=CC=CC=C2)CN(C3=CC=CC=C3)C(=O)C(C(C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H30N4O4S/c1-20(23-14-8-4-9-15-23)26(28(36)37)27(35)34(24-16-10-5-11-17-24)19-25-21(2)39-30(32-25)33-29(38)31-18-22-12-6-3-7-13-22/h3-17,20,26H,18-19H2,1-2H3,(H,36,37)(H2,31,32,33,38)