3-[4-(1,3-benzothiazol-2-yl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)CCC(=O)O

InChI

InChI=1S/C28H28N2O3S/c1-18(2)16-24(20-8-4-3-5-9-20)29-27(33)22-17-21(13-12-19(22)14-15-26(31)32)28-30-23-10-6-7-11-25(23)34-28/h3-13,17-18,24H,14-16H2,1-2H3,(H,29,33)(H,31,32)