172035-51-7

Basic information

• Product Name: (9S,12S,15S)-12-Benzyl-15-tert-butoxycarbonylamino-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester
• Synonyms: (9S,12S,15S)-12-Benzyl-15-tert-butoxycarbonylamino-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester
• CAS NO: 172035-51-7
• Molecular Weight: 587.673
• Mol File: 172035-51-7.mol

Chemical Properties

• CAS DataBase Reference: (9S,12S,15S)-12-Benzyl-15-tert-butoxycarbonylamino-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (9S,12S,15S)-12-Benzyl-15-tert-butoxycarbonylamino-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester(172035-51-7)
• EPA Substance Registry System: (9S,12S,15S)-12-Benzyl-15-tert-butoxycarbonylamino-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester(172035-51-7)

Safety Data

• Hazardous Substances Data: 172035-51-7(Hazardous Substances Data)

Upstream product

• 51301-86-1 Boc-p-chloro-L-Phe-OH 
• 172035-36-8 (S)-2-((S)-2-Amino-3-phenyl-propionylamino)-3-(3-hydroxy-phenyl)-propionic acid methyl ester 
• 1161-13-3 N-Cbz-L-Phe 
• 167935-97-9 methyl (S)-2-amino-3-(3-hydroxyphenyl)propanoate 

Relevant articles and documents

Total synthesis of the cyclic biphenyl ether peptides K-13 and OF494-III via S(N)Ar macrocyclizations of peptidyl ruthenium π-arene complexes

Intramolecular nucleophilic aromatic substitution (S(N)Ar) of preformed ruthenium cyclopentadienyl cationic peptidyl π-complexes forms cyclic biphenyl ethers in convenient, high-yielding reactions. The utility of the method was demonstrated by the efficie

Cyclic side-chain-linked biphenyl ether tripeptide: H3N+-cyclo-[Phe(4-O)-Phe-Phe(3-O)]-OMe. Cl-

The crystal structure of the chloride salt of H3N+-cyclo-(Phe(4-O)-Phe-Phe(3-O))-OMe, cyclo-phenylalanyl-phenylalanyl-phenylalaninium chloride methyl esther, C28H30N3O5+·Cl-, is described. It is oxidatively linked through a biaryl ether linkage formed from the hydroxyl of 4-hydroxyphenylalanine and the meta position of the distal phenylalanine residue. This is the first reported crystal-structure determination of a cyclic 17-membered biphenyl ether tripeptide, a class which includes the natural products K-13 and OF4949 I-IV. An unusual C-H...O hydrogen bond is formed between the methine H atom of the N-terminal Cα and a carbonyl-O atom of a neighboring molecule [C...O=2.995(4)A].