(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

HCID 157987551
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

Related reactions

0 records

No reaction records under the current filter.

Linked notes

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