3-[[3-(phenylcarbamoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(phenylcarbamoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(phenylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[anilino(oxo)methyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(phenylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-(phenylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H31N7O5 MolecularWeight: 593.63244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=CC=C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=CC=C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H31N7O5/c40-29(41)19-26(23-6-4-12-33-20-23)36-30(42)22-10-11-28(27(18-22)37-32(44)35-25-8-2-1-3-9-25)38-14-16-39(17-15-38)31(43)24-7-5-13-34-21-24/h1-13,18,20-21,26H,14-17,19H2,(H,36,42)(H,40,41)(H2,35,37,44)