N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-.BETA.-ALANINE MONOPHOSPHATE MONOHYDRATE, (3S)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H23BrClN5O7.H2O.H3O4P
Molecular Weight	700.815
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-.BETA.-ALANINE MONOPHOSPHATE MONOHYDRATE, (3S)-

Structure Search

SMILES

O.OP(O)(O)=O.OC1CNC(NC2=CC(=CC(O)=C2)C(=O)NCC(=O)N[C@@H](CC(O)=O)C3=C(O)C(Br)=CC(Cl)=C3)=NC1

InChI

InChIKey=WCYGYXWVDYOIDX-RMRYJAPISA-N

InChI=1S/C22H23BrClN5O7.H3O4P.H2O/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22;1-5(2,3)4;/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28);(H3,1,2,3,4);1H2/t17-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3S)-N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-.BETA.-ALANINE MONOPHOSPHATE (1:1) (SALT) MONOHYDRATE

Preferred Name

English

N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-.BETA.-ALANINE MONOPHOSPHATE MONOHYDRATE, (3S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

131842144

Created by admin on Tue Apr 01 21:24:57 GMT 2025 , Edited by admin on Tue Apr 01 21:24:57 GMT 2025

PRIMARY

FDA UNII

TVO1CK6EHA

Created by admin on Tue Apr 01 21:24:57 GMT 2025 , Edited by admin on Tue Apr 01 21:24:57 GMT 2025

PRIMARY

PARENT (SALT/SOLVATE)