argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)- Buy (CAS Number: 119617-72-0),

Catalog Number	M020117
CAS Number	119617-72-0
Synonyms	argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-
Molecular Formula	C55H80N14O12S2
Purity	≥95%
Storage	Store at RT
IUPAC Name	(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2R)-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)-2-[[(2S)-2-[[2-(4-tert-butyl-1-sulfanylcyclohexyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
InChI	InChI=1S/C55H80N14O12S2/c1-54(2,3)33-19-21-55(83,22-20-33)28-45(74)63-37(26-32-13-15-34(70)16-14-32)48(77)66-38(25-31-9-5-4-6-10-31)49(78)64-36(17-18-42(56)71)47(76)67-39(27-43(57)72)50(79)68-40(30-82)52(81)69-24-8-12-41(69)51(80)65-35(11-7-23-61-53(59)60)46(75)62-29-44(58)73/h4-6,9-10,13-16,30,33,35-41,70,83H,7-8,11-12,17-29H2,1-3H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,62,75)(H,63,74)(H,64,78)(H,65,80)(H,66,77)(H,67,76)(H,68,79)(H4,59,60,61)/t33?,35-,36+,37+,38+,39+,40+,41+,55?/m1/s1
InChIKey	LFQFIBYCRPIIQR-VCAUYVTFSA-N
SMILES	CC(C)(C)C1CCC(CC1)(CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)S

argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-