BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2 ,77327-45-8

BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2

Basic Information
Product Name：	BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
CAS：	77327-45-8
English Synonyms：	BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENEPROPIONYL-METYR-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2 [DISULFIDE BRIDGE: 1-6] ; PMP-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2 ; [PMP1,TYR(OME)2,ORN8] VASOTOCIN ; BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2 ; [BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENEPROPIONYL1, O-ME-TYR2, ORN8]-OXYTOCIN
MDL Number.：	MFCD00135712
H bond acceptor：	24
H bond donor：	11
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)NCC(=O)N)CC(=O)N)CCC(=O)N
InChi：	InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(70)56-31(16-17-36(50)61)42(66)57-33(23-37(51)62)43(67)58-34(47(71)60-21-9-11-35(60)45(69)55-30(10-8-20-49)41(65)53-25-38(52)63)26-73-74-48(18-6-5-7-19-48)24-39(64)54-32(44(68)59-40)22-28-12-14-29(72-3)15-13-28/h12-15,27,30-35,40H,4-11,16-26,49H2,1-3H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,69)(H,56,70)(H,57,66)(H,58,67)(H,59,68)/t27-,30-,31-,32-,33-,34-,35-,40-/m0/s1
InChiKey：	InChIKey=ZWVZXPFUQHTUKV-SZQHDTAUSA-N
Property
Safety information
WGK Germany：	3

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