beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid-2-trp-8-arg- oxytocin Buy (CAS Number: 133851-41-9),

Catalog Number	M119215
CAS Number	133851-41-9
Molecular Formula	C50H75N15O11S2
Purity	≥95%
Storage	Desiccate at RT
IUPAC Name	(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]pentanediamide
InChI	InChI=1S/C50H75N15O11S2/c1-3-27(2)41(64-45(73)33(21-28-24-57-30-12-6-5-11-29(28)30)59-40(69)23-50(78)17-7-4-8-18-50)47(75)61-32(15-16-37(51)66)43(71)62-34(22-38(52)67)44(72)63-35(26-77)48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)58-25-39(53)68/h5-6,11-12,24,26-27,31-36,41,57,78H,3-4,7-10,13-23,25H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,58,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34-,35-,36-,41-/m0/s1
InChIKey	JHUUTRDPYDXZJI-UHUBCKHXSA-N
SMILES	CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CC4(CCCCC4)S

beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid-2-trp-8-arg- oxytocin