3-[[5-[3-(2-benzamidoethanoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[3-(2-benzamidoethanoylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[3-[(2-benzamidoacetyl)amino]phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[5-[3-[(2-benzamido-1-oxoethyl)amino]phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[3-[(2-benzamidoacetyl)amino]phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[3-(hippuroylamino)phenyl]-2-methoxy-phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C31H29N3O7S MolecularWeight: 587.64286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H29N3O7S/c1-41-27-16-15-24(18-28(27)42(39,40)34-26(19-30(36)37)21-9-4-2-5-10-21)23-13-8-14-25(17-23)33-29(35)20-32-31(38)22-11-6-3-7-12-22/h2-18,26,34H,19-20H2,1H3,(H,32,38)(H,33,35)(H,36,37)