alpha-benzyl 4-[N,N-bis(2-chloroethyl)-amino]phenoxycarbonyl-gamma-(3-methylphenyl)-L-glutamine

HCID 86752016
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Basic information

Standard SMILES
Cc1cccc(C(C[C@](Cc2ccccc2)(NC(=O)Oc2ccccc2)C(=O)O)(C(N)=O)N(CCCl)CCCl)c1
InChIKey
LGAUCVFQRRMLLR-UFXYQILXSA-N
Molecular formula
C30H33Cl2N3O5
Average molar mass
586.5 g/mol

Names & identifiers

Preferred name
alpha-benzyl 4-[N,N-bis(2-chloroethyl)-amino]phenoxycarbonyl-gamma-(3-methylphenyl)-L-glutamine
IUPAC
(2S)-5-amino-2-benzyl-4-[bis(2-chloroethyl)amino]-4-(3-methylphenyl)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid

Names & synonyms

LGAUCVFQRRMLLR-UFXYQILXSA-Nalpha-benzyl 4-[N,N-bis(2-chloroethyl)-amino]phenoxycarbonyl-gamma-(3-methylphenyl)-L-glutaminealpha-benzyl 4-[N,N-bis(2-chloroethyl)amino]phenoxycarbonyl-gamma-(3-methylphenyl)-L-glutamine

Database identifiers

PubChem CID
86752016

Properties

Computed structural properties

XLogP
3
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
15
Heavy atoms
40

Related reactions

2 records
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Compound notes

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