(DEAMINO-CYS1,LEU4,LYS8)-VASOPRESSIN TRIFLUOROACETATE SALT

CAS No.
CCD No.
CCD04458564
Formula
C47 H67 N11 O11 S2 . C2 H F3 O2
MolWeight
1140.27

Basic Information

Product Name: (DEAMINO-CYS1,LEU4,LYS8)-VASOPRESSIN TRIFLUOROACETATE SALT
English Synonyms: 3-MERCAPTOPROPIONYL-TYR-PHE-LEU-ASN-CYS-PRO-LYS-GLY-NH2 (DISULFIDE BOND) TRIFLUOROACETATE SALT ; (DEAMINO-CYS1,LEU4,LYS8)-VASOPRESSIN TRIFLUOROACETATE SALT
MDL Number.: MFCD18782446
H bond acceptor: 22
H bond donor: 11
Smile: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc2ccccc2)Cc3ccc(cc3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C47H67N11O11S2.C2HF3O2/c1-27(2)21-32-42(64)56-35(24-38(49)60)45(67)57-36(47(69)58-19-8-12-37(58)46(68)53-31(11-6-7-18-48)41(63)51-25-39(50)61)26-71-70-20-17-40(62)52-33(23-29-13-15-30(59)16-14-29)43(65)55-34(44(66)54-32)22-28-9-4-3-5-10-28;3-2(4,5)1(6)7/h3-5,9-10,13-16,27,31-37,59H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,66)(H,55,65)(H,56,64)(H,57,67);(H,6,7)/t31-,32-,33-,34-,35-,36-,37-;/m0./s1
InChiKey: InChIKey=ITZWUNBYXCVADH-KSHZUBQQSA-N

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