Stendomycin V
Basic information
- CAS
2226374-58-7- Standard SMILES
C/C=C(\NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@@H]1CCCN1C(=O)CCCCCCCCCCC)C(C)C)[C@H](C)CC)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H]2CCNC(=NC)N2C)C(=O)O[C@@H]1C- InChIKey
BSYZEPITIGFSDX-SNWSSYJASA-N- Molecular formula
- C76H131N17O19
- Average molar mass
- 1,587 g/mol
- Monoisotopic mass
- 1,585.98071502
Names & identifiers
- Preferred name
- Stendomycin V
- IUPAC
- (2S)-1-dodecanoyl-N-[(2S,3S)-3-hydroxy-1-[[2-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(Z)-1-[[(3S,6R,9S,12R,15S,18R,21R,22R)-12-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-22-methyl-3-[(4S)-3-methyl-2-methylimino-1,3-diazinan-4-yl]-2,5,8,11,14,17,20-heptaoxo-6,15,18-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]-N-methylpyrrolidine-2-carboxamide
Names & synonyms
Stendomycin VEUN868ZPY3UNII-EUN868ZPY32226374-58-7
Database identifiers
- CAS
2226374-58-7- PubChem CID
- 157010656
- UNII
- EUN868ZPY3
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 504 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 34
- Heavy atoms
- 112
- Formal charge
- 0
- Complexity
- 3,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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