Basic information
- Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)[C@H](C)NC(=O)CN(C)NC(=O)NCc1ccncc1- InChIKey
IUVIERACAMHXQA-GOTSBHOMSA-N- Molecular formula
- C31H42N6O5
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.32166846
Names & identifiers
- Preferred name
- 1-(2-((S)-1-(((S)-1,1-diethoxypropan-2-yl)(naphthalen-1-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethyl)-1-methyl-4-(pyridin-4-ylmethyl)semicarbazide
- IUPAC
- (2S)-N-[(2S)-1,1-diethoxypropan-2-yl]-2-[[2-[methyl-(pyridin-4-ylmethylcarbamoylamino)amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
Names & synonyms
SCHEMBL1556765IUVIERACAMHXQA-GOTSBHOMSA-N1-(2-((S)-1-(((S)-1,1-diethoxypropan-2-yl)(naphthalen-1-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethyl)-1-methyl-4-(pyridin-4-ylmethyl)semicarbazide
Database identifiers
- PubChem CID
- 67075017
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 835
Related reactions
2 records
Compound notes
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