Crambescin A
Basic information
- CAS
132210-62-9- Standard SMILES
CCCCCCCCCC1N=C(N)N2CCCC2=C1C(=O)OCCCCN=C(N)N- InChIKey
CNYOJFKISRGTCX-UHFFFAOYSA-N- Molecular formula
- C22H40N6O2
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.32127454
Overview
Crambescin A has been reported in Batzella with data available.
Names & identifiers
- Preferred name
- Crambescin A
- IUPAC
- 4-(diaminomethylideneamino)butyl 1-amino-3-nonyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Names & synonyms
Crambescin A4-(diaminomethylideneamino)butyl 1-amino-3-nonyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-nonyl-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidine-4-carboxylateRefChem:128378DTXSID209275884-(Carbamimidoylamino)butyl 1-imino-3-nonyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-Carbamimidamidobutyl 1-imino-3-nonyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-guanidinobutyl 1-imino-3-nonyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylatePyrrolo[1,2-c]pyrimidine-4-carboxylic acid, 1-amino-3,5,6,7-tetrahydro-3-undecyl-, 4-[(aminoiminomethyl]amino)butyl ester, (+)
Database identifiers
- CAS
132210-62-9- PubChem CID
- 460277
- DTXSID
DTXSID20927588- Nikkaji
- J2.018.234B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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