CBZ-TYR(SO3H)-MET-GLY-TRP-MET-ASP-PHE OH

CAS No.
CCD No.
CCD00136094
Formula
C53 H62 N8 O16 S3
MolWeight
1163.31

Basic Information

Product Name: CBZ-TYR(SO3H)-MET-GLY-TRP-MET-ASP-PHE OH
English Synonyms: SULFATED CBZ CCK-PZ 27-33, UNBLOCKED ; CHOLECYSTOKININ 27-33 PROTECTED, SULFATED, DEAMINATED ; CBZ-TYR(SO3H)-MET-GLY-TRP-MET-ASP-PHE OH
MDL Number.: MFCD00467645
H bond acceptor: 24
H bond donor: 11
Smile: CSCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H](Cc4ccc(cc4)OS(=O)(=O)O)NC(=O)OCc5ccccc5
InChi: InChI=1S/C53H62N8O16S3/c1-78-23-21-39(57-49(67)41(61-53(72)76-31-34-13-7-4-8-14-34)25-33-17-19-36(20-18-33)77-80(73,74)75)47(65)55-30-45(62)56-42(27-35-29-54-38-16-10-9-15-37(35)38)50(68)58-40(22-24-79-2)48(66)59-43(28-46(63)64)51(69)60-44(52(70)71)26-32-11-5-3-6-12-32/h3-20,29,39-44,54H,21-28,30-31H2,1-2H3,(H,55,65)(H,56,62)(H,57,67)(H,58,68)(H,59,66)(H,60,69)(H,61,72)(H,63,64)(H,70,71)(H,73,74,75)/t39-,40-,41-,42-,43-,44-/m0/s1
InChiKey: InChIKey=WBMOUGGLDDJGQT-WGXSSYHUSA-N

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