3-[[5-[3-(1,3-benzothiazol-2-ylcarbamoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[3-(1,3-benzothiazol-2-ylcarbamoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[3-(1,3-benzothiazol-2-ylcarbamoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[5-[3-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[3-(1,3-benzothiazol-2-ylcarbamoylamino)phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[3-(1,3-benzothiazol-2-ylcarbamoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C30H26N4O6S2 MolecularWeight: 602.68064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=NC4=CC=CC=C4S3)S(=O)(=O)NC(CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=NC4=CC=CC=C4S3)S(=O)(=O)NC(CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H26N4O6S2/c1-40-25-15-14-21(17-27(25)42(38,39)34-24(18-28(35)36)19-8-3-2-4-9-19)20-10-7-11-22(16-20)31-29(37)33-30-32-23-12-5-6-13-26(23)41-30/h2-17,24,34H,18H2,1H3,(H,35,36)(H2,31,32,33,37)