3-[[4-[[(4-cyclohexylphenyl)-[4-[oxidanidyl(oxidanyl)amino]phenoxy]carbonyl-amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-[4-[oxidanidyl(oxidanyl)amino]phenoxy]carbonyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexyl-N-[4-[hydroxy(oxido)amino]phenoxy]carbonyl-anilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexyl-N-[[4-[hydroxy(oxido)amino]phenoxy]-oxomethyl]anilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexyl-N-[4-[hydroxy(oxido)amino]phenoxy]carbonylanilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexyl-N-[4-[hydroxy(oxido)amino]phenoxy]carbonyl-anilino)methyl]benzoyl]amino]propionic acid Formula: C30H32N3O7- MolecularWeight: 546.59098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)OC4=CC=C(C=C4)N(O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)OC4=CC=C(C=C4)N(O)[O-]

InChI

InChI=1S/C30H32N3O7/c34-28(35)18-19-31-29(36)24-8-6-21(7-9-24)20-32(30(37)40-27-16-14-26(15-17-27)33(38)39)25-12-10-23(11-13-25)22-4-2-1-3-5-22/h6-17,22,38H,1-5,18-20H2,(H,31,36)(H,34,35)/q-1