Nostocyclamide
Basic information
- Standard SMILES
Cc1oc2nc1C(=O)NCc1nc(cs1)C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@H]2C- InChIKey
CRISVSOALHAQCE-LKFCYVNXSA-N- Molecular formula
- C20H22N6O4S2
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.11439555
Overview
Nostocyclamide is a keratan 6'-sulfate and an azamacrocycle.
Names & identifiers
- Preferred name
- Nostocyclamide
- IUPAC
- (4S,18R)-4,7-dimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Names & synonyms
Nostocyclamide(4S,18R)-4,7-dimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione(4S,18R)-4,7-dimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo(17.2.1.15,8.112,15)tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trioneRefChem:166758NSC694347CHEMBL2002878CHEBI:177842DTXSID701046905NSC-694347NCI60_033780
Database identifiers
- PubChem CID
- 393060
- DTXSID
DTXSID701046905- ChEMBL
CHEMBL2002878- ChEBI
CHEBI:177842- Nikkaji
- J704.191H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 743
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Related reactions
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Compound notes
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