alpha-Benzyl4-[N,N-bis(2-chloroethyl)amino]phenoxycarbonyl-L-glutamate

HCID 86752017
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Basic information

Standard SMILES
O=C(N[C@@](Cc1ccccc1)(CC(C(=O)[O-])N(CCCl)CCCl)C(=O)[O-])Oc1ccccc1
InChIKey
SRKZMTGTPBZAAR-BVHINDKJSA-L
Molecular formula
C23H24Cl2N2O6-2
Average molar mass
495.3 g/mol
Monoisotopic mass
494.1011419

Names & identifiers

Preferred name
alpha-Benzyl4-[N,N-bis(2-chloroethyl)amino]phenoxycarbonyl-L-glutamate
IUPAC
(2S)-2-benzyl-4-[bis(2-chloroethyl)amino]-2-(phenoxycarbonylamino)pentanedioate

Names & synonyms

SRKZMTGTPBZAAR-BVHINDKJSA-Lalpha-Benzyl4-[N,N-bis(2-chloroethyl)amino]phenoxycarbonyl-L-glutamate

Database identifiers

PubChem CID
86752017

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

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