2-(aminocarbonylamino)-3-(1H-benzimidazol-2-yl)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 2-(aminocarbonylamino)-3-(1H-benzimidazol-2-yl)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1H-benzimidazol-2-yl)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]-2-ureido-propanoic acid CAS Name: 3-(1H-benzimidazol-2-yl)-2-(carbamoylamino)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1H-benzimidazol-2-yl)-2-(carbamoylamino)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1H-benzimidazol-2-yl)-3-phenyl-2-[(3-phenylphenyl)sulfonylamino]-2-ureido-propionic acid Formula: C29H25N5O5S MolecularWeight: 555.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)C4=NC5=CC=CC=C5N4)(C(=O)O)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)C4=NC5=CC=CC=C5N4)(C(=O)O)NC(=O)N

InChI

InChI=1S/C29H25N5O5S/c30-28(37)33-29(27(35)36,34-40(38,39)22-15-9-14-21(18-22)19-10-3-1-4-11-19)25(20-12-5-2-6-13-20)26-31-23-16-7-8-17-24(23)32-26/h1-18,25,34H,(H,31,32)(H,35,36)(H3,30,33,37)