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

Systemtic Name: 3-[[3-azanyl-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-amino-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-amino-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-amino-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-amino-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N

InChI

InChI=1S/C20H24N4O5S/c1-29-20(28)24-8-6-23(7-9-24)16-5-4-13(11-14(16)21)19(27)22-15(12-18(25)26)17-3-2-10-30-17/h2-5,10-11,15H,6-9,12,21H2,1H3,(H,22,27)(H,25,26)