3-[[3-benzamido-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H31N5O5 MolecularWeight: 541.59764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O5/c36-27(37)18-24(23-7-4-12-31-19-23)32-29(39)22-10-11-26(25(17-22)33-28(38)20-5-2-1-3-6-20)34-13-15-35(16-14-34)30(40)21-8-9-21/h1-7,10-12,17,19,21,24H,8-9,13-16,18H2,(H,32,39)(H,33,38)(H,36,37)