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Hippuryl-glycyl-glycine

HCID 96771
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Basic information

CAS
31384-90-4
Standard SMILES
O=C(O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1
InChIKey
CYQZRSVDAIOAIY-UHFFFAOYSA-N
Molecular formula
C13H15N3O5
Average molar mass
293.27 g/mol
Monoisotopic mass
293.10117059

Overview

RN given refers to parent cpd; N1 from 9th CI Form Index

Names & identifiers

Preferred name
Hippuryl-glycyl-glycine
IUPAC
2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]acetic acid
English name
Bz-Gly-Gly-Gly-OH
Molecular formula
C13H15N3O5
Molecular weight
293.28

Names & synonyms

31384-90-4Hippuryl-glycyl-glycineHippuryl-gly-glyHippurylglycylglycineHIGGDTXSID90185310Glycine, N-(N-(N-benzoylglycyl)glycyl)-RefChem:146464DTXCID00107801Hippuryl-Gly-Gly-OHBenzoylglycylglycylglycineBZ-GLY-GLY-GLY-OH
Show more names
HIP-GLY-GLY-OHBZ-GLY-GLY-GLYPhCO-Gly-Gly-Gly-OHBENZOYL-GLY-GLY-GLYN-BENZOYL-GLY-GLY-GLYGlt-Ala-Ala-Pro-Leu-pNA
2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]acetic acid2-[2-[2-(Phenylformamido)acetamido]acetamido]acetic acid{2-[2-(PHENYLFORMAMIDO)ACETAMIDO]ACETAMIDO}ACETIC ACIDn-benzoylglycylglycylglycineNSC89186NSC 89186Benzoyl-Glycyl-Glycyl-GlycineCHEMBL456605

Database identifiers

CAS
31384-90-4
PubChem CID
96771
DTXSID
DTXSID90185310
ChEMBL
CHEMBL456605
Nikkaji
J307.831K

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
125 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
405

Physicochemical properties

storage temp.
-15 °C · -15°C
HS Code
29225090 · 29225090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
29225090

Related reactions

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Compound notes

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