(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-sulfanylidenepyridin-1-yl)pentanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-sulfanylidenepyridin-1-yl)pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-thioxo-1-pyridyl)pentanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(4-sulfanylidene-1-pyridinyl)pentanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-sulfanylidenepyridin-1-yl)pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-thioxo-1-pyridyl)valeric acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN1C=CC(=S)C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCN1C=CC(=S)C=C1)C(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)16-12(13(18)19)5-4-8-17-9-6-11(22)7-10-17/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1