CYIQNCPLGNHCH2CH2F_Chemical Cloud Database

CYIQNCPLGNHCH2CH2F

Basic Information
Product Name：	CYIQNCPLGNHCH2CH2F
English Synonyms：	OXYTOCIN-2-FLUOROETHYL AMIDE ; CYIQNCPLGNHCH2CH2F
MDL Number.：	MFCD02259574
H bond acceptor：	24
H bond donor：	12
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCCF)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CS)N
InChi：	InChI=1S/C45H71FN12O12S2/c1-5-24(4)37(57-42(67)30(53-38(63)27(47)21-71)18-25-8-10-26(59)11-9-25)44(69)52-28(12-13-34(48)60)40(65)54-31(19-35(49)61)41(66)56-32(22-72)45(70)58-16-6-7-33(58)43(68)55-29(17-23(2)3)39(64)51-20-36(62)50-15-14-46/h8-11,23-24,27-33,37,59,71-72H,5-7,12-22,47H2,1-4H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,69)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
InChiKey：	InChIKey=LNUMIJNAHZWWQS-XTDTXPIQSA-N

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