2-[2-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-prop-2-ynoxy-piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-prop-2-ynoxy-piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[2-[(3-amino-3-oxo-propyl)carbamoyl]-4-prop-2-ynoxy-1-piperidyl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-4-prop-2-ynoxy-1-piperidinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-prop-2-ynoxypiperidin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[2-[(3-amino-3-keto-propyl)carbamoyl]-4-propargyloxy-piperidino]-2-keto-ethyl]thio]acetic acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1CCN(C(C1)C(=O)NCCC(=O)N)C(=O)CSCC(=O)O

Isomeric SMILES

C#CCOC1CCN(C(C1)C(=O)NCCC(=O)N)C(=O)CSCC(=O)O

InChI

InChI=1S/C16H23N3O6S/c1-2-7-25-11-4-6-19(14(21)9-26-10-15(22)23)12(8-11)16(24)18-5-3-13(17)20/h1,11-12H,3-10H2,(H2,17,20)(H,18,24)(H,22,23)