3-[[4-[[(3-tert-butylphenyl)carbamoylamino]-[4-(cyclohexen-1-yl)phenyl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(3-tert-butylphenyl)carbamoylamino]-[4-(cyclohexen-1-yl)phenyl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(3-tert-butylphenyl)carbamoylamino]-[4-(cyclohexen-1-yl)phenyl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(3-tert-butylanilino)-oxomethyl]amino]-[4-(1-cyclohexenyl)phenyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(3-tert-butylphenyl)carbamoylamino]-[4-(cyclohexen-1-yl)phenyl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(3-tert-butylphenyl)carbamoylamino]-[4-(cyclohexen-1-yl)phenyl]methyl]benzoyl]amino]propionic acid Formula: C34H39N3O4 MolecularWeight: 553.69116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C34H39N3O4/c1-34(2,3)28-10-7-11-29(22-28)36-33(41)37-31(25-14-12-24(13-15-25)23-8-5-4-6-9-23)26-16-18-27(19-17-26)32(40)35-21-20-30(38)39/h7-8,10-19,22,31H,4-6,9,20-21H2,1-3H3,(H,35,40)(H,38,39)(H2,36,37,41)