tert-butyl{(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate

HCID 59513645

Basic information

Standard SMILES
CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)NC(=O)OC(C)(C)C
InChIKey
RHXSQDFJXBZSLL-LBPRGKRZSA-N
Molecular formula
C21H27N5O3
Average molar mass
397.5 g/mol
Monoisotopic mass
397.21138974

Names & identifiers

Preferred name
tert-butyl{(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate
IUPAC
tert-butyl N-[(2S)-1-[3-carbamoyl-2-(methylamino)pyrido[2,3-b]indol-9-yl]propan-2-yl]carbamate

Names & synonyms

SCHEMBL10148329RHXSQDFJXBZSLL-LBPRGKRZSA-Ntert-butyl {(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamatetert-butyl{(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate

Database identifiers

PubChem CID
59513645

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
111 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

Related reactions

4 records

Compound notes

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