Products 252198-49-5

CAS 252198-49-5 appears in our catalog under these names: Tertiapin–Q, Tertiapin Q. Offered by: GLPBio, Biosynth. Available pack sizes: 1mg, 5mg.

Tertiapin–Q
GLPBio
  • size: 1mg
  • Variants: 1
from 1046.37
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Tertiapin Q
Biosynth
  • size: 5mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(1R,4S,7S,10S,16S,22S,25S,28R,33R,36S,39S,42S,49R,52S)-36,39-bis(4-aminobutyl)-N-[2-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-25,52-bis(2-amino-2-oxoethyl)-4-(3-amino-3-oxopropyl)-49-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-16,19,22-tris[(2S)-butan-2-yl]-7-(1H-imidazol-4-ylmethyl)-42-(1H-indol-3-ylmethyl)-3,6,9,15,18,21,24,27,35,38,41,44,50,53-tetradecaoxo-30,31,46,47-tetrathia-2,5,8,14,17,20,23,26,34,37,40,43,51,54-tetradecazatricyclo[26.16.10.010,14]tetrapentacontane-33-carboxamide (CAS 252198-49-5) is a chemical compound with the molecular formula C100H163N31O23S4 and a molecular weight of 2295.8 g/mol. IUPAC name: (1R,4S,7S,10S,16S,22S,25S,28R,33R,36S,39S,42S,49R,52S)-36,39-bis(4-aminobutyl)-N-[2-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-25,52-bis(2-amino-2-oxoethyl)-4-(3-amino-3-oxopropyl)-49-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-16,19,22-tris[(2S)-butan-2-yl]-7-(1H-imidazol-4-ylmethyl)-42-(1H-indol-3-ylmethyl)-3,6,9,15,18,21,24,27,35,38,41,44,50,53-tetradecaoxo-30,31,46,47-tetrathia-2,5,8,14,17,20,23,26,34,37,40,43,51,54-tetradecazatricyclo[26.16.10.010,14]tetrapentacontane-33-carboxamide. InChIKey: GYOKDEHVCCTTJF-VJPNZKQTSA-N.

Identity
Molecular formulaC100H163N31O23S4
Molecular weight2295.8 g/mol
IUPAC name(1R,4S,7S,10S,16S,22S,25S,28R,33R,36S,39S,42S,49R,52S)-36,39-bis(4-aminobutyl)-N-[2-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-25,52-bis(2-amino-2-oxoethyl)-4-(3-amino-3-oxopropyl)-49-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-16,19,22-tris[(2S)-butan-2-yl]-7-(1H-imidazol-4-ylmethyl)-42-(1H-indol-3-ylmethyl)-3,6,9,15,18,21,24,27,35,38,41,44,50,53-tetradecaoxo-30,31,46,47-tetrathia-2,5,8,14,17,20,23,26,34,37,40,43,51,54-tetradecazatricyclo[26.16.10.010,14]tetrapentacontane-33-carboxamide
InChIKeyGYOKDEHVCCTTJF-VJPNZKQTSA-N
SMILESCC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC4=CNC5=CC=CC=C54)CCCCN)CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)C(=O)N[C@H](C(=O)N1)CC(=O)N)CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)CCC(=O)N)CC6=CNC=N6)[C@@H](C)CC)[C@@H](C)CC

Computed by PubChem (NCBI)

Synonyms: tertiapin-Q, ALC*NC*NRIIIPHQC*WKKC*GKK, (Modifications: Disulfide bonds 3 - 14 and 5 - 18, C-terminal amide)