Products 507471-72-9

CAS 507471-72-9 appears in our catalog under these names: Caffeic acid-pYEEIE, Caffeic acid–pYEEIE. Offered by: Creative Peptides, GLPBio, MedChemExpress. Available pack sizes: on request, 1mg, Get quote.

Structural formula: {0} (CAS {1})

(2S)-2-[[(2S,3S)-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 (CAS 507471-72-9) is a chemical compound with the molecular formula C39H50N5O19P and a molecular weight of 923.8 g/mol. IUPAC name: (2S)-2-[[(2S,3S)-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. InChIKey: OLKLXQPYJYPETQ-YYGGXQSLSA-N.

Identity
Molecular formulaC39H50N5O19P
Molecular weight923.8 g/mol
IUPAC name(2S)-2-[[(2S,3S)-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
InChIKeyOLKLXQPYJYPETQ-YYGGXQSLSA-N
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O

Computed by PubChem (NCBI)