(2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid (CAS 82214-96-8) — formula C21H25N7O5S, molecular weight 487.5; category organic chemicals.
| CAS Number | 82214-96-8 |
|---|---|
| Molecular Formula | C21H25N7O5S |
| Molecular Weight | 487.5 |
| LogP | 0.9 |
| Category | Organic Chemicals |
(2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid is a carbon-based organic compound with CAS registry number 82214-96-8 and molecular formula C21H25N7O5S (molecular weight 487.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82214-96-8
Its molecular formula C21H25N7O5S comprises 21 C, 25 H, 7 N, 5 O, 1 S atoms.
Also known as: (2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid · (2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]十-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸
Category: organic chemicals
The CAS registry number of (2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid is 82214-96-8.
Molecular formula C21H25N7O5S, molecular weight 487.5.
It is also registered under: (2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid, (2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]十-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸.
Category: Organic Chemicals.
Independent reference data for (2S)-2-[[4-[(3,5-diamino-9-methyl-10-thia-2,4,7-triazabicyclo[4.4.0]de ca-1,3,5,7-tetraen-8-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid (CAS 82214-96-8), compiled from public chemistry databases.
| CAS 号 | 82214-96-8 |
|---|---|
| PubChem CID | 3067876 |
| 分子式 | C21H25N7O5S |
| IUPAC 名称 | (2S)-2-[[4-[(2,4-diamino-7-methyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid |
| Molecular Weight | 487.5 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 487.16378810 |
| Monoisotopic Mass | 487.16378810 |
| Topological Polar Surface Area | 222 |
| Heavy Atom Count | 34 |
82214-96-8; N-(4-(((2,4-Diamino-7-methyl-7H-pyrimido(4,5-b)(1,4)thiazin-6-yl)methyl)methylamino)benzoyl)-L-glutamic acid; RefChem:346147; DTXSID401002562
(2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]十-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸 · CAS 82214-96-8 · C21H25N7O5S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]十-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸