4-[2-(N-BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine tert-butyl ester

HCID 10840664

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)OC(C)(C)C)cc1
InChIKey
JJXDFVXKRQDYGE-QFIPXVFZSA-N
Molecular formula
C27H37N3O8S
Average molar mass
563.7 g/mol

Names & identifiers

Preferred name
4-[2-(N-BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine tert-butyl ester
IUPAC
tert-butyl (2S)-2-(benzenesulfonamido)-3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoyl]amino]propanoate

Names & synonyms

JJXDFVXKRQDYGE-QFIPXVFZSA-N4-[2-(N-BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine tert-butyl ester4 -[2 -(N -BOC-Amino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-betaalanine tert-butyl ester

Database identifiers

PubChem CID
10840664

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
158 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
15
Heavy atoms
39

Related reactions

3 records

Compound notes

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