Basic information
- CAS
73664-84-3- Standard SMILES
CC(C)C[C@H](N=C(N[C@@H](CC(C)C)C(=O)O)c1ccccc1)C(=O)O- InChIKey
SXSUAHINKAZKLI-HOTGVXAUSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- N-((((S)-1-Carboxy-3-methylbutyl)amino)phenylmethylene)-L-leucine
- IUPAC
- (2S)-2-[[N-[(1S)-1-carboxy-3-methylbutyl]-C-phenylcarbonimidoyl]amino]-4-methylpentanoic acid
Names & synonyms
73664-84-3BENZAMIDINE, N,N'-BIS(L-CARBOXYISOBUTYLMETHYL)-JRL8LX482ZNSC-225221L-Leucine, N-(((1-carboxy-3-methylbutyl)amino)phenylmethylene)-, (S)-N-[[[(S)-1-Carboxy-3-methylbutyl]amino]phenylmethylene]-L-leucineN-((((S)-1-Carboxy-3-methylbutyl)amino)phenylmethylene)-L-leucineL-Leucine, N-[[(1-carboxy-3-methylbutyl)amino]phenylmethylene]-, (S)-RefChem:1090615N,N'-Bis(L-carboxyisobutylmethyl)benzamidineNSC 225221Leucine, N,N'-benzylidynedi-
Show more names
DTXSID401384568(2S)-2-[[N-[(1S)-1-carboxy-3-methyl-butyl]-C-phenyl-carbonimidoyl]amino]-4-methyl-pentanoicacid(2S)-2-[[N-[(1S)-1-carboxy-3-methylbutyl]-C-phenylcarbonimidoyl]amino]-4-methylpentanoic acid
Database identifiers
- CAS
73664-84-3- PubChem CID
- 52098
- DTXSID
DTXSID401384568- UNII
- JRL8LX482Z
- Nikkaji
- J149.186E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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