COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.Cl
CAS: 211914-58-8
名称: methyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride
SMILES: COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.Cl

Molecular Processing

Molecular formula
C26H28ClN7O3
Molecular weight
522.01
Exact mass
521.1942
XLogP
3.5
TPSA
139.22
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.192
Molar refractivity
145.29

Supplementary Information

InChIKey: NSPKNVAENNYJAT-UHFFFAOYSA-N
同義語
SCHEMBL6776498NSPKNVAENNYJAT-UHFFFAOYSA-N1-methyl-2-[n-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-n-(2-pyridyl)-n-(2-methoxycarbonylethyl)-amide-hydrochloride1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)amide Hydrochloride211914-58-8Methyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochloride
出典を見る →
20 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→