Basic information
- CAS
104840-35-9- Standard SMILES
CNCC(=O)N[C@H](CN=C(N)N)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1C(N)=O- InChIKey
UUOLIDLGSNSWHZ-QJHHURCWSA-N- Molecular formula
- C17H28N10O7
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.21424327
Overview
Bagougeramine A is a glycopeptide.
Names & identifiers
- Preferred name
- Bagougeramine A
- IUPAC
- (2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide
- English name
- (2S,3S,4S,5R,6R)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R)-3-(diaminom ethylideneamino)-2-[(2-methylaminoacetyl)amino]propanoyl]amino]-4,5-di hydroxy-oxane-2-carboxamide
- Molecular formula
- C17H28N10O7
- Molecular weight
- 484.47
Names & synonyms
Bagougeramine A104840-35-9(2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamidebeta-D-Glucopyranuronamide, 4-((3-((aminoiminomethyl)amino)-N-(N-methylglycyl)-D-alanyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-(2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(((2R)-3-(diaminomethylideneamino)-2-((2-(methylamino)acetyl)amino)propanoyl)amino)-4,5-dihydroxyoxane-2-carboxamideRefChem:116330orb3024205SCHEMBL29884398CHEBI:222442TN10716(2S,3S,4S,5R,6R)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R)-3-(diaminom ethylideneamino)-2-[(2-methyl4-[[3-[(Aminoiminomethyl)amino]-N-(N-methylglycyl)-D-alanyl]amino]-1-[4-amino-2-oxopyrimidin-1(2H)-yl]-1,4-dideoxy-β-D-glucopyranulonamide
Show more names
β-D-Glucopyranuronamide, 4-[[N-methylglycyl-3-[(aminoiminomethyl)amino]-D-alanyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy- (9CI)
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 903
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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