3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H33N5O5 MolecularWeight: 555.62422

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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N5O5/c37-28(17-21-5-2-1-3-6-21)33-26-18-23(30(40)34-25(19-29(38)39)24-7-4-12-32-20-24)10-11-27(26)35-13-15-36(16-14-35)31(41)22-8-9-22/h1-7,10-12,18,20,22,25H,8-9,13-17,19H2,(H,33,37)(H,34,40)(H,38,39)