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[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

HCID 333632
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Basic information

CAS
83586-89-4
Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(NCCN3CCOCC3)=C(C)C1=O)[C@@H]2COC(N)=O
InChIKey
KWGNODKUKSENDG-PGDDNOQISA-N
Molecular formula
C21H29N5O6
Average molar mass
447.5 g/mol
Monoisotopic mass
447.21178366

Names & identifiers

Preferred name
[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
IUPAC
[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-(2-morpholin-4-ylethylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Names & synonyms

NSC33624083586-89-4DTXSID90318803NSC-336240[(1aR,8R,8aS,8bR)-8a-Methoxy-5-methyl-6-{[2-(morpholin-4-yl)ethyl]amino}-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate

Database identifiers

CAS
83586-89-4
PubChem CID
333632
DTXSID
DTXSID90318803

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
145 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
926

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