Caffeic acid-pyeeie

CAS

507471-72-9

Catalog Number

ACM507471729

Category

Other Products

Molecular Weight

923.81

Molecular Formula

C₃₉H₅₀N₅O₁₉P

MSDS COA Spec Sheet

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Specification

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

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

H-Bond Donor