1-(2-((S)-3-(4-tert-butoxyphenyl)-1-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethyl)-4-ethyl-1-methylsemicarbazide

HCID 67075111
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Basic information

Standard SMILES
CCNC(=O)NN(C)CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N(Cc1cccc2cccnc12)[C@@H](C)C(OCC)OCC
InChIKey
CRDNDXPYYVYALA-QCDSWUKFSA-N
Molecular formula
C36H52N6O6
Average molar mass
664.8 g/mol

Names & identifiers

Preferred name
1-(2-((S)-3-(4-tert-butoxyphenyl)-1-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethyl)-4-ethyl-1-methylsemicarbazide
IUPAC
(2S)-N-[(2S)-1,1-diethoxypropan-2-yl]-2-[[2-[(ethylcarbamoylamino)-methylamino]acetyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-(quinolin-8-ylmethyl)propanamide

Names & synonyms

SCHEMBL1556968CRDNDXPYYVYALA-QCDSWUKFSA-N1-(2-((S)-3-(4-tert-butoxyphenyl)-1-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethyl)-4-ethyl-1-methylsemicarbazide

Database identifiers

PubChem CID
67075111

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
134 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
18
Heavy atoms
48

Related reactions

2 records
New reaction record

Compound notes

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