N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester
Basic information
- CAS
3577-89-7- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O- InChIKey
GBPZYMBDOBODNK-LBAQZLPGSA-N- Molecular formula
- C23H35Cl2N3O4
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 487.200462
Overview
Russian drug; structure
Names & identifiers
- Preferred name
- N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester
- IUPAC
- ethyl (2S)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoate
Names & synonyms
Leucine sarcolysine3577-89-7RefChem:927001N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl esterAsalexN-(N-Acetyl-4-bis(2-chloroethyl)amino)-dl-phenylalanyl-L-leucine ethyl esterethyl (2S)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoateAsaleiNSC 167780N-Acetyl-DL-sarcolysyl-L-leucine ethyl esterL-Leucine, N-(N-acetyl-4-(bis(2-chloroethyl)amino)-DL-phenylalanyl)-, ethyl esterLeucine, N-(N-acetyl-3-(p-(bis(2-chloroethyl)amino)phenyl)-DL-alanyl)-, ethyl ester, L-
Show more names
DTXSID601031844orb1985874SCHEMBL29512290AKOS040752502ethyl (2-acetamido-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)-L-leucinateT32664Leucine, N-(N-acetyl-3-(p-(bis(2-chloroethyl)amino)phenyl)-DL-alanyl)-, ethyl ester, L-
Database identifiers
- CAS
3577-89-7- PubChem CID
- 94267
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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