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

Systemtic Name: 2-[[5-methyl-2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-4-yl]-phenyl-carbamoyl]-3-phenyl-butanoic acid Openeye Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-thiazol-4-yl]-phenyl-carbamoyl]-3-phenyl-butanoic acid CAS Name: 2-[(N-[5-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-thiazolyl]anilino)-oxomethyl]-3-phenylbutanoic acid IUPAC Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-1,3-thiazol-4-yl]-phenylcarbamoyl]-3-phenylbutanoic acid Traditional Name: 2-[[2-(benzylcarbamoylamino)-5-methyl-thiazol-4-yl]-phenyl-carbamoyl]-3-phenyl-butyric acid Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28N4O4S/c1-19(22-14-8-4-9-15-22)24(27(35)36)26(34)33(23-16-10-5-11-17-23)25-20(2)38-29(31-25)32-28(37)30-18-21-12-6-3-7-13-21/h3-17,19,24H,18H2,1-2H3,(H,35,36)(H2,30,31,32,37)