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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(ethylcarbamoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(ethylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-(ethylcarbamoylamino)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(ethylcarbamoylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-(ethylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H32N6O5 MolecularWeight: 508.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C26H32N6O5/c1-2-28-26(37)30-21-14-18(24(35)29-20(15-23(33)34)19-4-3-9-27-16-19)7-8-22(21)31-10-12-32(13-11-31)25(36)17-5-6-17/h3-4,7-9,14,16-17,20H,2,5-6,10-13,15H2,1H3,(H,29,35)(H,33,34)(H2,28,30,37)