[[6-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]carbonylamino] 2-azanyl-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoate

Systemtic Name: [[6-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]carbonylamino] 2-azanyl-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoate Openeye Name: [[6-[amino(tert-butoxycarbonyl)amino]pyridine-3-carbonyl]amino] 2-amino-3-[(5-nitro-2-thioxo-1H-pyridin-3-yl)sulfanyl]propanoate CAS Name: 2-amino-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)thio]propanoic acid [[[6-[amino-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-oxomethyl]amino] ester IUPAC Name: [[6-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carbonyl]amino] 2-amino-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoate Traditional Name: 2-amino-3-[(5-nitro-2-thioxo-1H-pyridin-3-yl)thio]propionic acid [[6-[amino(tert-butoxycarbonyl)amino]nicotinoyl]amino] ester Formula: C19H23N7O7S2 MolecularWeight: 525.55862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=C(C=C1)C(=O)NOC(=O)C(CSC2=CC(=CNC2=S)[N+](=O)[O-])N)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=C(C=C1)C(=O)NOC(=O)C(CSC2=CC(=CNC2=S)[N+](=O)[O-])N)N

InChI

InChI=1S/C19H23N7O7S2/c1-19(2,3)32-18(29)25(21)14-5-4-10(7-22-14)15(27)24-33-17(28)12(20)9-35-13-6-11(26(30)31)8-23-16(13)34/h4-8,12H,9,20-21H2,1-3H3,(H,23,34)(H,24,27)