Basic information
- CAS
78327-30-7- Standard SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCC4CCCO4)C3=O)N1C[C@@H]1N[C@@H]12- InChIKey
IBHSJZCRJYNJFO-LSJTXQMRSA-N- Molecular formula
- C20H26N4O6
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.18523456
Names & identifiers
- Preferred name
- ((1AS,8S,8aR,8bS)-8a-methoxy-5-methyl-4,7-dioxo-6-((tetrahydrofuran-2-ylmethyl)amino)-1,1a,2,4,7,8,8a,8b-octahydroazireno(2',3':3,4)pyrrolo(1,2-a)indol-8-yl)methyl carbamate
- IUPAC
- [(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(oxolan-2-ylmethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC 32798678327-30-7((1AS,8S,8aR,8bS)-8a-methoxy-5-methyl-4,7-dioxo-6-((tetrahydrofuran-2-ylmethyl)amino)-1,1a,2,4,7,8,8a,8b-octahydroazireno(2',3':3,4)pyrrolo(1,2-a)indol-8-yl)methyl carbamate{(1AS,8S,8aR,8bS)-8a-methoxy-5-methyl-4,7-dioxo-6-[(tetrahydrofuran-2-ylmethyl)amino]-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl carbamate[methoxy-methyl-dioxo-(tetrahydrofuran-2-ylmethylamino)[?]yl]methyl carbamate
Database identifiers
- CAS
78327-30-7- PubChem CID
- 457969
- Nikkaji
- J420.674F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 898
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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