Basic information
- CAS
158382-37-7- Standard SMILES
N[C@@H](CCC(=O)N(C(=O)[C@@H](N)CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)[C@@H](C(=O)O)c1ccccc1)C(=O)O- InChIKey
VESKBLGTHHPZJF-QNWVGRARSA-N- Molecular formula
- C26H40Cl4N5O10PS
- Average molar mass
- 787.5 g/mol
- Monoisotopic mass
- 785.098761
Names & identifiers
- Preferred name
- (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxopentanoic acid
- IUPAC
- (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxopentanoic acid
Names & synonyms
(2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxopentanoic acidSCHEMBL1651418DA-59485Q2166277(10R,13R)-10-Amino-4-[bis(2-chloroethyl)amino]-1-chloro-3-(2-chloroethyl)-12-(L-gamma-glutamyl)-4,8,8,11-tetraoxo-13-phenyl-5-oxa-8lambda~6~-thia-3,12-diaza-4lambda~5~-phosphatetradecan-14-oic acid(2R)-L-gamma-Glutamyl-3-((2-((bis(bis(2-chloroethyl)amino)phosphinyl)oxy) ethyl)sulfonyl)- L-alanyl-2-phenylglycine
Database identifiers
- CAS
158382-37-7- PubChem CID
- 133045
- DTXSID
DTXSID40166412
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 24
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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