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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N4O10
Molecular Weight 584.5745
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BIS-PABA PORPHYRA 334

SMILES

COC1=C(C[C@@](O)(CO)C\C1=N/[C@@H]([C@@H](C)O)C(=O)NC2=CC=C(C=C2)C(O)=O)NCC(=O)NC3=CC=C(C=C3)C(O)=O

InChI

InChIKey=GOPOYZWAMXCUOJ-RKWBMHRLSA-N
InChI=1S/C28H32N4O10/c1-15(34)23(25(36)31-19-9-5-17(6-10-19)27(39)40)32-21-12-28(41,14-33)11-20(24(21)42-2)29-13-22(35)30-18-7-3-16(4-8-18)26(37)38/h3-10,15,23,29,33-34,41H,11-14H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)(H,39,40)/b32-21+/t15-,23+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H32N4O10
Molecular Weight 584.5745
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:17:09 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:09 GMT 2023
Record UNII
PC40MHX87K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS-PABA PORPHYRA 334
INCI  
INCI  
Official Name English
4-((2S,3R)-2-(((S,E)-3-((2-((4-CARBOXYPHENYL)AMINO)-2-OXOETHYL)AMINO)-5-HYDROXY-5-(HYDROXYMETHYL)-2-METHOXYCYCLOHEX-2-EN-1-YLIDENE)AMINO)-3-HYDROXYBUTANAMIDO)BENZOIC ACID
Systematic Name English
BIS-PABA PORPHYRA 334 [INCI]
Common Name English
BIS-PABA PORPHYRA-334
Common Name English
UV-PPA
Brand Name English
Code System Code Type Description
FDA UNII
PC40MHX87K
Created by admin on Sat Dec 16 10:17:09 GMT 2023 , Edited by admin on Sat Dec 16 10:17:09 GMT 2023
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