Quinomycin C
Basic information
- CAS
1403-88-9- Standard SMILES
CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C- InChIKey
AUJXLBOHYWTPFV-UHFFFAOYSA-N- Molecular formula
- C51H64N12O12S2
- Average molar mass
- 1,101.3 g/mol
- Monoisotopic mass
- 1,100.42080787
Overview
Quinomycin C is a cyclodepsipeptide.
Names & identifiers
- Preferred name
- Quinomycin C
- IUPAC
- N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
Names & synonyms
RefChem:930490N-(2,4,12,15,17,25-hexamethyl-11,24-bis(3-methylbutan-2-yl)-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo(12.12.3)nonacosan-7-yl)quinoxaline-2-carboxamideQuinomycin CLevomycinMLS0027029031403-88-9Quinomycin A;NSC-13502S-426-S (Lepetit)SMR001566720C51H64N12O12S2MFCD00156105Quinomycin A (7CI,
Show more names
cid_3197Neuro_000224SCHEMBL63091CHEMBL263730orb1707345SCHEMBL29529894BDBM93922GNF-PF-1958
Database identifiers
- CAS
1403-88-9、512-64-1- PubChem CID
- 3197
- DTXSID
DTXSID5031266- ChEMBL
CHEMBL263730- ChEBI
CHEBI:220035
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 2,200
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Related reactions
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Compound notes
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