(D(CH2)51,TYR(ME)2,THR4,ORN8,TYR-NH29)-VASOTOCIN TRIFLUOROACETATE

CAS No.
CCD No.
CCD04559665
Formula
C54 H79 N11 O13 S2 . C2 H F3 O2
MolWeight
1268.44

Basic Information

Product Name: (D(CH2)51,TYR(ME)2,THR4,ORN8,TYR-NH29)-VASOTOCIN TRIFLUOROACETATE
English Synonyms: (D(CH2)51,TYR(ME)2,THR4,ORN8,TYR-NH29)-VASOTOCIN TRIFLUOROACETATE ; BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-THR-ASN-CYS-PRO-ORN-TYR-NH2 TRIFLUOROACETATE ; OVTA TRIFLUOROACETATE
MDL Number.: MFCD18910832
H bond acceptor: 24
H bond donor: 12
Smile: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCCCC2)CC(=O)N[C@H](C(=O)N1)Cc3ccc(cc3)OC)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)N)CC(=O)N)[C@@H](C)O.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C54H79N11O13S2.C2HF3O2/c1-5-30(2)44-51(75)64-45(31(3)66)52(76)61-39(27-42(56)68)48(72)62-40(29-79-80-54(21-7-6-8-22-54)28-43(69)58-38(49(73)63-44)26-33-15-19-35(78-4)20-16-33)53(77)65-24-10-12-41(65)50(74)59-36(11-9-23-55)47(71)60-37(46(57)70)25-32-13-17-34(67)18-14-32;3-2(4,5)1(6)7/h13-20,30-31,36-41,44-45,66-67H,5-12,21-29,55H2,1-4H3,(H2,56,68)(H2,57,70)(H,58,69)(H,59,74)(H,60,71)(H,61,76)(H,62,72)(H,63,73)(H,64,75);(H,6,7)/t30-,31+,36+,37-,38-,39-,40-,41-,44-,45-;/m0./s1
InChiKey: InChIKey=NRXFLQDPBRHYCG-YGKGARRESA-N

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