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

Systemtic Name: 3-[[3-azanyl-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)N

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)N

InChI

InChI=1S/C22H26N4O4S/c23-16-12-15(21(29)24-17(13-20(27)28)19-2-1-11-31-19)5-6-18(16)25-7-9-26(10-8-25)22(30)14-3-4-14/h1-2,5-6,11-12,14,17H,3-4,7-10,13,23H2,(H,24,29)(H,27,28)