CAS Registry Number®
1873316-01-8
CAS Name
N-[[2-[[[4-[(E)-Amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
Molecular Formula
C34H41N7O5
Molecular Mass
627.73
Other Names and Identifiers
InChI
InChI=1S/C34H41N7O5/c1-5-23(6-2)22-46-34(44)39-32(35)24-11-14-26(15-12-24)37-21-30-38-27-20-25(13-16-28(27)40(30)4)33(43)41(19-17-31(42)45-7-3)29-10-8-9-18-36-29/h8-16,18,20,23,37H,5-7,17,19,21-22H2,1-4H3,(H2,35,39,44)
InChIKey
InChIKey=FLKVNYQKJOGRLQ-UHFFFAOYSA-N
SMILES
CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(NC(OCC(CC)CC)=O)=N)C=C4
Canonical SMILES
O=C(OCC(CC)CC)NC(=N)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Other Names for this Substance
- β-Alanine, N-[[2-[[[4-[(E)-amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
- N-[[2-[[[4-[(E)-Amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
