4-[2-[(3-azanyl-3-oxidanylidene-2-thiophen-2-yl-propyl)carbamoyl]-4-prop-2-enoxy-piperidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(3-azanyl-3-oxidanylidene-2-thiophen-2-yl-propyl)carbamoyl]-4-prop-2-enoxy-piperidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-allyloxy-2-[[3-amino-3-oxo-2-(2-thienyl)propyl]carbamoyl]-1-piperidyl]-4-oxo-butanoic acid CAS Name: 4-[2-[[(3-amino-3-oxo-2-thiophen-2-ylpropyl)amino]-oxomethyl]-4-prop-2-enoxy-1-piperidinyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[(3-amino-3-oxo-2-thiophen-2-ylpropyl)carbamoyl]-4-prop-2-enoxypiperidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-allyloxy-2-[[3-amino-3-keto-2-(2-thienyl)propyl]carbamoyl]piperidino]-4-keto-butyric acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1CCN(C(C1)C(=O)NCC(C2=CC=CS2)C(=O)N)C(=O)CCC(=O)O

Isomeric SMILES

C=CCOC1CCN(C(C1)C(=O)NCC(C2=CC=CS2)C(=O)N)C(=O)CCC(=O)O

InChI

InChI=1S/C20H27N3O6S/c1-2-9-29-13-7-8-23(17(24)5-6-18(25)26)15(11-13)20(28)22-12-14(19(21)27)16-4-3-10-30-16/h2-4,10,13-15H,1,5-9,11-12H2,(H2,21,27)(H,22,28)(H,25,26)