3-[[4-[(4-cyclohexylphenyl)-[[3-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[[3-(2-methyl-5-tetrazolyl)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[[3-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C32H35N7O4 MolecularWeight: 581.6648

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C2=CC(=CC=C2)NC(=O)NC(C3=CC=C(C=C3)C4CCCCC4)C5=CC=C(C=C5)C(=O)NCCC(=O)O

Isomeric SMILES

CN1N=C(N=N1)C2=CC(=CC=C2)NC(=O)NC(C3=CC=C(C=C3)C4CCCCC4)C5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C32H35N7O4/c1-39-37-30(36-38-39)26-8-5-9-27(20-26)34-32(43)35-29(23-12-10-22(11-13-23)21-6-3-2-4-7-21)24-14-16-25(17-15-24)31(42)33-19-18-28(40)41/h5,8-17,20-21,29H,2-4,6-7,18-19H2,1H3,(H,33,42)(H,40,41)(H2,34,35,43)