Basic information
- CAS
120796-22-7- Standard SMILES
C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C1OC(c2c[nH]c(=O)[nH]c2=O)C(O)C1O)[C@H](O)c1ccc(O)cn1- InChIKey
ZWCOQJINVKEJCM-RXFLJLMGSA-N- Molecular formula
- C25H32N6O13
- Average molar mass
- 624.6 g/mol
- Monoisotopic mass
- 624.2027351
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
- English name
- Nikkomycin pseudo-J
- Molecular formula
- C25H32N6O13
- Molecular weight
- 624.55
Names & synonyms
(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acidSCHEMBL29885363Nikkomycin pseudo-JL-Glutamic acid, (3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6S)-2-amino-3,6-anhydro-2-deoxy-6-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-L-allonoyl-
Database identifiers
- CAS
120796-22-7- PubChem CID
- 129256
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,170
Chemistry & industry
Applications
DescriptionNikkomycin pseudo-J is a nikkomycin isolated from Streptomyces tendae.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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