[(4R,6R,7S,8R)-7-methoxy-5,12-dimethyl-10,13-dioxo-11-(prop-2-ynylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
78142-80-0- Standard SMILES
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3[C@@H](CN21)N3C- InChIKey
XKGGUIJGEOKAPP-MHBRSWMOSA-N- Molecular formula
- C19H22N4O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.15901982
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-7-methoxy-5,12-dimethyl-10,13-dioxo-11-(prop-2-ynylamino)-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-5,12-dimethyl-10,13-dioxo-11-(prop-2-ynylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC33565278142-80-0DTXSID40318772NSC-335652{(1aR,8R,8aS,8bR)-8a-Methoxy-1,5-dimethyl-4,7-dioxo-6-[(prop-2-yn-1-yl)amino]-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
78142-80-0- PubChem CID
- 333546
- DTXSID
DTXSID40318772
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 913
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Compound notes
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