N-(4-(3-Oxo-6-amino-2,3-dihydro-1,2,4-benzotriazin-2-yl)benzoyl)glutamic acid
Basic information
- CAS
122712-57-6- Standard SMILES
Nc1ccc2nn(-c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c(=O)nc2c1- InChIKey
DWTGBHWQSDBXRT-AWEZNQCLSA-N- Molecular formula
- C19H17N5O6
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.11788328
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(4-(3-Oxo-6-amino-2,3-dihydro-1,2,4-benzotriazin-2-yl)benzoyl)glutamic acid
- IUPAC
- (2S)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid
- English name
- N-(4-(3-oxo-6-amino-2,3-dihydro-1,2,4-benzotriazin-2-yl)benzoyl)glutamic acid
- Molecular weight
- 0
Names & synonyms
Oadbbg122712-57-6N-(4-(3-Oxo-6-amino-2,3-dihydro-1,2,4-benzotriazin-2-yl)benzoyl)glutamic acidRefChem:162043(S)-2-(4-(6-Amino-3-oxobenzo[e][1,2,4]triazin-2(3H)-yl)benzamido)pentanedioic acid(2S)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acidDTXSID30924245N-[4-(6-Amino-3-oxo-1,2,4-benzotriazin-2(3H)-yl)benzoyl]glutamic acidN-[4-(6-amino-3-oxo-1,2,4-benzotriazin-2(3H)-yl)benzoyl]-L-glutamic acid
Database identifiers
- CAS
122712-57-6- PubChem CID
- 129765
- DTXSID
DTXSID30924245
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 882
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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