About tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride
tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride (PubChem CID 159347937) has the molecular formula C109H153Cl4N29O33
and a molecular weight of 2539.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?
The IUPAC name of tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride (CID 159347937) is tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride is CC[C@@H](C)C(=O)Nc1ccc2c(n1)N[C@@H](C)C(=O)C2.COC(=O)[C@H](C)N.COC(=O)[C@H](C)NC1Nc2nc(N)ccc2CC1[N+](=O)[O-].COC(=O)[C@H](C)NC1Nc2nc(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)ccc2CC1[N+](=O)[O-].COC(=O)[C@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-].COC(=O)[C@H](C)Nc1nc(NCc2ccc(C)cc2)ccc1[N+](=O)[O-].C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.C[C@@H]1Nc2nc(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)ccc2CC1=O.Cl.O=[N+]([O-])c1ccc(Cl)nc1Cl.
What is the InChIKey of tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?
The InChIKey is ILDVEWXYUQQUOH-FKFICCCPSA-N. The full InChI is InChI=1S/C21H32N6O7.C18H26N4O4.C17H20N4O4.C14H19N3O2.C12H17N5O4.C9H10ClN3O4.C9H17NO4.C5H2Cl2N2O2.C4H9NO2.ClH/c1-11(19(29)33-7)22-17-14(27(31)32)10-13-8-9-15(23-16(13)25-17)24-18(28)12(2)26(6)20(30)34-21(3,4)5;1-10-13(23)9-12-7-8-14(20-15(12)19-10)21-16(24)11(2)22(6)17(25)26-18(3,4)5;1-11-4-6-13(7-5-11)10-18-15-9-8-14(21(23)24)16(20-15)19-12(2)17(22)25-3;1-4-8(2)14(19)17-12-6-5-10-7-11(18)9(3)15-13(10)16-12;1-6(12(18)21-2)14-11-8(17(19)20)5-7-3-4-9(13)15-10(7)16-11;1-5(9(14)17-2)11-8-6(13(15)16)3-4-7(10)12-8;1-6(7(11)12)10(5)8(13)14-9(2,3)4;6-4-2-1-3(9(10)11)5(7)8-4;1-3(5)4(6)7-2;/h8-9,11-12,14,17,22H,10H2,1-7H3,(H2,23,24,25,28);7-8,10-11H,9H2,1-6H3,(H2,19,20,21,24);4-9,12H,10H2,1-3H3,(H2,18,19,20);5-6,8-9H,4,7H2,1-3H3,(H2,15,16,17,19);3-4,6,8,11,14H,5H2,1-2H3,(H3,13,15,16);3-5H,1-2H3,(H,11,12);6H,1-5H3,(H,11,12);1-2H;3H,5H2,1-2H3;1H/t11-,12-,14?,17?;10-,11-;12-;8-,9+;6-,8?,11?;5-;6-;;3-;/m0001000.0./s1.
What are the key properties of tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?
tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride has a molecular weight of 2539.40 g/mol, XLogP of 13.36, 32 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]amino]-1-oxopropan-2-yl]carbamate;2,6-dichloro-3-nitropyridine;methyl (2S)-2-[(7-amino-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)amino]propanoate;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoate;methyl (2S)-2-[[7-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-nitro-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]amino]propanoate;(2R)-2-methyl-N-[(7S)-7-methyl-6-oxo-7,8-dihydro-5H-1,8-naphthyridin-2-yl]butanamide;methyl (2S)-2-[[6-[(4-methylphenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 159347937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).