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

Systemtic Name: 3-[[3-(methoxycarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(methoxycarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-(methoxycarbonylamino)-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(methoxycarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(carbomethoxyamino)-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)OC

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C22H26N4O7S/c1-32-21(30)24-15-12-14(20(29)23-16(13-19(27)28)18-4-3-11-34-18)5-6-17(15)25-7-9-26(10-8-25)22(31)33-2/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,29)(H,24,30)(H,27,28)