(2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid (CAS 85345-35-3) — formula C21H22N6O5, molecular weight 438.4; category organic chemicals.
| CAS Number | 85345-35-3 |
|---|---|
| Molecular Formula | C21H22N6O5 |
| Molecular Weight | 438.4 |
| LogP | 0.9 |
| Category | Organic Chemicals |
(2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid is a carbon-based organic compound with CAS registry number 85345-35-3 and molecular formula C21H22N6O5 (molecular weight 438.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85345-35-3
Its molecular formula C21H22N6O5 comprises 21 C, 22 H, 6 N, 5 O atoms.
Also known as: (2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid · (2S)-2-[[4-[2-(2,4-二氨基-3,5,10-三氮杂双环[4.4.0]十-2,4,7,9,11-五烯-9-基)乙基]苯甲酰基]氨基]戊二酸
Category: organic chemicals
The CAS registry number of (2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid is 85345-35-3.
Molecular formula C21H22N6O5, molecular weight 438.4.
It is also registered under: (2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid, (2S)-2-[[4-[2-(2,4-二氨基-3,5,10-三氮杂双环[4.4.0]十-2,4,7,9,11-五烯-9-基)乙基]苯甲酰基]氨基]戊二酸.
Category: Organic Chemicals.
Independent reference data for (2S)-2-[[4-[2-(2,4-diamino-3,5,10-triazabicyclo[4.4.0]deca-2,4,7,9,11- pentaen-9-yl)ethyl]benzoyl]amino]pentanedioic acid (CAS 85345-35-3), compiled from public chemistry databases.
| CAS 号 | 85345-35-3 |
|---|---|
| PubChem CID | 3069832 |
| 分子式 | C21H22N6O5 |
| IUPAC 名称 | (2S)-2-[[4-[2-(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid |
| Molecular Weight | 438.4 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 438.16516782 |
| Monoisotopic Mass | 438.16516782 |
| Topological Polar Surface Area | 194 |
| Heavy Atom Count | 32 |
Glutamic acid, N-(p-(2-(2,4-diaminopyrido(3,2-d)pyrimidin-6-yl)ethyl)benzoyl)-; 85345-35-3; N-(p-(2-(2,4-Diaminopyrido(3,2-d)pyrimidin-6-yl)ethyl)benzoyl)glutamic acid; DTXSID50234535; RefChem:346151; DTXCID80157026; N-{4-[2-(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)ethyl]benzoyl}-L-glutamic acid
(2S)-2-[[4-[2-(2,4-二氨基-3,5,10-三氮杂双环[4.4.0]十-2,4,7,9,11-五烯-9-基)乙基]苯甲酰基]氨基]戊二酸 · CAS 85345-35-3 · C21H22N6O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2S)-2-[[4-[2-(2,4-二氨基-3,5,10-三氮杂双环[4.4.0]十-2,4,7,9,11-五烯-9-基)乙基]苯甲酰基]氨基]戊二酸