Caffeic acid-pyeeie

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Catalog Number
ACM507471729
Product Name
Caffeic acid-pyeeie
Structure
Structure
CAS
507471-72-9
Category
Heterocyclic Organic Compound
Synonyms
N-[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]-O-PHOSPHONO-L-TYROSYL-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-L-ISOLEUCYL-L-GLUTAMIC ACID;CAFFEIC ACID-PYEEIE;N-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-O-phosphono-L-tyrosyl-L-a-glutamyl-L-a-glutamyl-L-isoleucyl-
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
Molecular Weight
923.81
Molecular Formula
C39H50N5O19P
Canonical SMILES
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O
InChI Key
OLKLXQPYJYPETQ-GYHHIBSGSA-N
Exact Mass
923.28400
H-Bond Acceptor
19
H-Bond Donor
13
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