(2~{S})-2-[[(3~{S},4~{E},6~{S},11~{Z},14~{S},15~{Z},17~{S},18~{Z},20~{S},21~{Z},23~{S},24~{Z},26~{S},27~{Z},29~{S})-6-[[(2~{S})-2-[[(2~{S},3~{R})-2-[[(2~{S})-2-[[(2~{S})-2-acetamido-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-20-benzyl-23-(carboxymethyl)-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxo-propyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaene-14-carbonyl]amino]-3-phenyl-propanoic acid (BioCAD00001544227)

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Metabolite Card

Formula: C82H102N14O25 (1682.714)
SMILES: COC(=O)CC[C@@H]1/N=C(\O)[C@H](CC2=CC=CC=C2)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)/N=C(/O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(C)=O)[C@@H](C)O)CCCC/N=C(\O)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)/N=C/1O

Synonyms [en]

(2~{S})-2-[[(3~{S},4~{E},6~{S},11~{Z},14~{S},15~{Z},17~{S},18~{Z},20~{S},21~{Z},23~{S},24~{Z},26~{S},27~{Z},29~{S})-6-[[(2~{S})-2-[[(2~{S},3~{R})-2-[[(2~{S})-2-[[(2~{S})-2-acetamido-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-20-benzyl-23-(carboxymethyl)-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxo-propyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaene-14-carbonyl]amino]-3-phenyl-propanoic acid

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

(2~{S})-2-[[(3~{S},4~{E},6~{S},11~{Z},14~{S},15~{Z},17~{S},18~{Z},20~{S},21~{Z},23~{S},24~{Z},26~{S},27~{Z},29~{S})-6-[[(2~{S})-2-[[(2~{S},3~{R})-2-[[(2~{S})-2-[[(2~{S})-2-acetamido-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-20-benzyl-23-(carboxymethyl)-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxo-propyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaene-14-carbonyl]amino]-3-phenyl-propanoic acid. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00001544227). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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