Catalog Number:
AG00I8A1
Chemical Name:
b-Alanine,N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
CAS Number:
429658-95-7
Molecular Formula:
C27H30ClN7O3
Molecular Weight:
536.0252
MDL Number:
MFCD16294325
IUPAC Name:
ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChI:
InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
InChI Key:
BGLLICFSSKPUMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1.Cl
UNII:
KJ4EH9410G
