3-[[3-(cyclopropylcarbonylamino)-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C26H30N4O5S/c31-23(32)15-20(22-2-1-13-36-22)28-25(34)18-7-8-21(19(14-18)27-24(33)16-3-4-16)29-9-11-30(12-10-29)26(35)17-5-6-17/h1-2,7-8,13-14,16-17,20H,3-6,9-12,15H2,(H,27,33)(H,28,34)(H,31,32)