#3;4-[5-[BIS-[2-[2-(4-AMINO-4-CARBOXYBUTANOYLAMINO)-2-(CARBOXYMETHYLCARBAMOYL)-ETHYLSULFANYL]-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACI
Compound with spectra: 1 NMR
![#3;4-[5-[BIS-[2-[2-(4-AMINO-4-CARBOXYBUTANOYLAMINO)-2-(CARBOXYMETHYLCARBAMOYL)-ETHYLSULFANYL]-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACI](/api/compound/XPR1ry23AF.png?ph=true&h=300&w=458 "#3;4-[5-[BIS-[2-[2-(4-AMINO-4-CARBOXYBUTANOYLAMINO)-2-(CARBOXYMETHYLCARBAMOYL)-ETHYLSULFANYL]-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACI")
| SpectraBase Compound ID | XPR1ry23AF |
|---|---|
| InChI | InChI=1S/C36H53N9O14S2/c1-44-26-8-5-20(15-23(26)41-27(44)3-2-4-30(48)49)45(11-13-60-18-24(33(54)39-16-31(50)51)42-28(46)9-6-21(37)35(56)57)12-14-61-19-25(34(55)40-17-32(52)53)43-29(47)10-7-22(38)36(58)59/h5,8,15,21-22,24-25H,2-4,6-7,9-14,16-19,37-38H2,1H3,(H,39,54)(H,40,55)(H,42,46)(H,43,47)(H,48,49)(H,50,51)(H,52,53)(H,56,57)(H,58,59)/t21-,22-,24-,25-/m0/s1 |
| InChIKey | BYTSWSLJXSORGL-TWVZQSRDSA-N |
| Mol Weight | 900.0 g/mol |
| Molecular Formula | C36H53N9O14S2 |
| Exact Mass | 899.31534 g/mol |
| Enantiomer InChIKey | BYTSWSLJXSORGL-WMMXXEOUSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
#2;4-[5-[[2-[2-(4-AMINO-4-CARBOXYBUTANOYLAMINO)-2-(CARBOXYMETHYLCARBAMOYL)-ETHYLSULFANYL]-ETHYL]-(2-CHLOROETHYL)-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-
#15;4-[5-[[2-(2-ACETYLAMINO-2-CARBOXYETHANESULFANYL]-ETHYL]-[2-(2-AMINO-2-CARBOXYETHYLSULFINYL)-ETHYL]-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL]-BUTANOIC-ACID
3-pyridinecarboxamide, N-[2-[3-[(3-chloro-4-fluorobenzoyl)amino]propyl]-1-methyl-1H-benzimidazol-5-yl]-
3-pyridinecarboxamide, 6-chloro-N-[3-[5-[(2-chlorobenzoyl)amino]-1-methyl-1H-benzimidazol-2-yl]propyl]-
2-furancarboxamide, N-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]ethyl]-1-methyl-1H-benzimidazol-5-yl]-
N-[2-(5-{[(2-isopropyl-5-methylphenoxy)acetyl]amino}-1-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
N-[2-(5-{[(2-isopropyl-5-methylphenoxy)acetyl]amino}-1-methyl-1H-benzimidazol-2-yl)ethyl]-2-furamide
2-furancarboxamide, tetrahydro-N-[2-[5-[(2-methoxybenzoyl)amino]-1-methyl-1H-benzimidazol-2-yl]ethyl]-
3-pyridinecarboxamide, 6-chloro-N-[2-[5-[(2-methoxybenzoyl)amino]-1-methyl-1H-benzimidazol-2-yl]ethyl]-
3-pyridinecarboxamide, 6-chloro-N-[2-[5-[(2-chlorobenzoyl)amino]-1-methyl-1H-benzimidazol-2-yl]ethyl]-
| Title | Journal or Book | Year |
|---|---|---|
| Identification and Quantitation of theN-Acetyl-L-cysteineS-Conjugates of Bendamustine and Its Sulfoxides in Human Bile after Administration of Bendamustine Hydrochloride | Drug Metabolism and Disposition | 2008 |