Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-butyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)

HCID 27646

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Basic information

CAS: 16032-73-8
Standard SMILES: CCCCN1C2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)C21
InChIKey: NYDNHNDLODNBRO-WZZNODGGSA-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-amino-1-butyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
IUPAC: [(7R,8S)-11-amino-5-butyl-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

16032-73-8Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-butyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)RefChem:320446DTXSID60936275(6-Amino-1-butyl-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate[(8S,8aR)-6-Amino-1-butyl-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

Database identifiers

CAS: 16032-73-8
PubChem CID: 27646
DTXSID: DTXSID60936275

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 128 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 834

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