2-[[2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoic acid
Basic information
- CAS
66919-95-7- Standard SMILES
CC(C)CC(NC(=O)C(N)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O- InChIKey
ZLAQBJJKWQANRA-UHFFFAOYSA-N- Molecular formula
- C19H29Cl2N3O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 417.1585972
Names & identifiers
- Preferred name
- 2-[[2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoic acid
- IUPAC
- 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid
Names & synonyms
66919-95-766919-98-0NSC2621932-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoic acidDTXSID00985585L-Leucine, N-[4-[bis(2-chloroethyl)amino]-D-phenylalanyl]-NSC262194NSC-262193NSC-262194DS-003815L-Leucine, N-[4-[bis(2-chloroethyl)amino]-L-phenylalanyl]-N-(2-Amino-3-{4-[bis(2-chloroethyl)amino]phenyl}-1-hydroxypropylidene)leucine
Database identifiers
- CAS
66919-95-7、66919-98-0- PubChem CID
- 429670
- DTXSID
DTXSID00985585
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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