L-Proline, 1-[N2-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]-L-prolyl]-L-arginyl]-
Basic information
- CAS
76091-08-2- Standard SMILES
NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
APQVCZXWHWWQGH-SDHOMARFSA-N- Molecular formula
- C30H45Cl2N7O5
- Average molar mass
- 654.6 g/mol
- Monoisotopic mass
- 653.2859229
Names & identifiers
- Preferred name
- L-Proline, 1-[N2-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]-L-prolyl]-L-arginyl]-
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
CHEMBL111648DTXSID30111980376091-08-2L-Proline, 1-[N2-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]-L-prolyl]-L-arginyl]-1-(4-{4-[Bis(2-chloroethyl)amino]phenyl}butanoyl)-L-prolyl-L-arginyl-L-proline
Database identifiers
- CAS
76091-08-2- PubChem CID
- 44339869
- DTXSID
DTXSID301119803- ChEMBL
CHEMBL111648
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 985
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Compound notes
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