(S)-2,4,5-Trichlorophenyl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate

HCID 54123710
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Basic information

Standard SMILES
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1
InChIKey
NPMYNUQPKVXGBI-QFIPXVFZSA-N
Molecular formula
C25H19Cl3N2O4
Average molar mass
517.8 g/mol
Monoisotopic mass
516.04104

Names & identifiers

Preferred name
(S)-2,4,5-Trichlorophenyl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
IUPAC
(2,4,5-trichlorophenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Names & synonyms

62074-77-5(S)-2,4,5-Trichlorophenyl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoateSCHEMBL11694974NPMYNUQPKVXGBI-QFIPXVFZSA-NN-benzyloxycarbonyl-L-tryptophan 2,4,5-trichlorophenyl ester

Database identifiers

PubChem CID
54123710

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
34

Related reactions

1 records
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Linked notes

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