(2S)-3-[[amino-(isocyanoamino)methylidene]amino]-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;2-O-tert-butyl 6-O-methyl 5,7-dichloro-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate;bis(1H-indazole-6-carboxylic acid);N-isocyano-1,1-bis(methylsulfanyl)methanimine;methyl (2S)-2-aminochloranuidyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 3-amino-4-methylbenzoate;methyl (2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate;bis(methyl 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate);methyl 1H-indazole-6-carboxylate
No structure available
Basic information
- InChIKey
NGPPHLUQBRZWOJ-PQRWBIEVSA-N- Molecular formula
- C154H160Cl13N30O33S2-
- Average molar mass
- 3,484.1 g/mol
Names & identifiers
- Preferred name
- (2S)-3-[[amino-(isocyanoamino)methylidene]amino]-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;2-O-tert-butyl 6-O-methyl 5,7-dichloro-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate;bis(1H-indazole-6-carboxylic acid);N-isocyano-1,1-bis(methylsulfanyl)methanimine;methyl (2S)-2-aminochloranuidyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 3-amino-4-methylbenzoate;methyl (2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate;bis(methyl 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate);methyl 1H-indazole-6-carboxylate
- IUPAC
- (2S)-3-[[amino-(isocyanoamino)methylidene]amino]-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;2-O-tert-butyl 6-O-methyl 5,7-dichloro-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate;bis(1H-indazole-6-carboxylic acid);N-isocyano-1,1-bis(methylsulfanyl)methanimine;methyl (2S)-2-aminochloranuidyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 3-amino-4-methylbenzoate;methyl (2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl 5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate;bis(methyl 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate);methyl 1H-indazole-6-carboxylate
Database identifiers
- PubChem CID
- 157987551
Properties
Computed structural properties
- Topological polar surface area
- 918 Ų
- Hydrogen bond donors
- 19
- Hydrogen bond acceptors
- 50
- Rotatable bonds
- 41
- Heavy atoms
- 232
- Formal charge
- -1
- Complexity
- 4,220
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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