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Basic information
- CAS
14769-01-8- Standard SMILES
CCCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)C3NC3CN21- InChIKey
MUMZSESJJXSLPZ-FWXNFGMDSA-N- Molecular formula
- C19H26N4O5
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.19031994
Names & identifiers
- Preferred name
- Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(butylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
- IUPAC
- [(7R,8S)-11-(butylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
BRN 1182835NSC 134716Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(butylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)RefChem:32044114769-01-8
Database identifiers
- CAS
14769-01-8- PubChem CID
- 26876
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
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Compound notes
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