3-[[1-(2-methoxyethanoyl)-4-thiophen-2-ylsulfonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[1-(2-methoxyethanoyl)-4-thiophen-2-ylsulfonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[1-(2-methoxyacetyl)-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[1-(2-methoxy-1-oxoethyl)-4-thiophen-2-ylsulfonyl-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[1-(2-methoxyacetyl)-4-thiophen-2-ylsulfonylpiperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[1-(2-methoxyacetyl)-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C19H23N3O7S3 MolecularWeight: 501.59682

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COCC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O7S3/c1-29-12-16(23)22-7-6-21(32(27,28)18-5-3-9-31-18)11-14(22)19(26)20-13(10-17(24)25)15-4-2-8-30-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,20,26)(H,24,25)