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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO5
Molecular Weight 227.2139
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROXYHOMOTYROSINE, (S,S,S)-

SMILES

N[C@@H]([C@H](O)[C@@H](O)C1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=SKALBOHJGVPGFQ-CIUDSAMLSA-N
InChI=1S/C10H13NO5/c11-7(10(15)16)9(14)8(13)5-1-3-6(12)4-2-5/h1-4,7-9,12-14H,11H2,(H,15,16)/t7-,8-,9-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DIHYDROXYHOMOTYROSINE, (S,S,S)-
Common Name English
BENZENEBUTANOIC ACID, .ALPHA.-AMINO-.BETA.,.GAMMA.,4-TRIHYDROXY-, (.ALPHA.S,.BETA.S,.GAMMA.S)-
Systematic Name English
2-AMINO-3,4-DIHYDROXY-4-(4-HYDROXYPHENYL)BUTANOIC ACID, (2S,3S,4S)-
Common Name English
CASPOFUNGIN (M1)
Common Name English
Code System Code Type Description
FDA UNII
9548016401
Created by admin on Sat Dec 16 11:12:35 GMT 2023 , Edited by admin on Sat Dec 16 11:12:35 GMT 2023
PRIMARY
PUBCHEM
91810597
Created by admin on Sat Dec 16 11:12:35 GMT 2023 , Edited by admin on Sat Dec 16 11:12:35 GMT 2023
PRIMARY
CAS
106454-67-5
Created by admin on Sat Dec 16 11:12:35 GMT 2023 , Edited by admin on Sat Dec 16 11:12:35 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of CASPOFUNGIN
NIH
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