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Details

Stereochemistry EPIMERIC
Molecular Formula C22H23BrClN5O7.H3O4P
Molecular Weight 682.8
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, (3S)-

SMILES

OP(O)(O)=O.OC1CNC(NC2=CC(O)=CC(=C2)C(=O)NCC(=O)N[C@@H](CC(O)=O)C3=CC(Cl)=CC(Br)=C3O)=NC1

InChI

InChIKey=COUVVDVKOOMYOA-LMOVPXPDSA-N
InChI=1S/C22H23BrClN5O7.H3O4P/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)/t17-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
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, (3S)-
Systematic Name English
.BETA.-ALANINE, N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-, (3S)-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
1E12HD5PFL
Created by admin on Sat Dec 16 14:01:48 GMT 2023 , Edited by admin on Sat Dec 16 14:01:48 GMT 2023
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PUBCHEM
131842251
Created by admin on Sat Dec 16 14:01:48 GMT 2023 , Edited by admin on Sat Dec 16 14:01:48 GMT 2023
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CAS
749896-59-1
Created by admin on Sat Dec 16 14:01:48 GMT 2023 , Edited by admin on Sat Dec 16 14:01:48 GMT 2023
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