(4-Tert-Butyl-1-Mercaptocyclohexaneacetic Acid)(1)-Argipressin
[CAS# 119617-72-0]

Identification

• Name: (4-Tert-Butyl-1-Mercaptocyclohexaneacetic Acid)(1)-Argipressin
• Synonyms: (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1R)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Methanethioyl-2-Oxo-Ethyl]Carbamoyl]-3-Oxo-Propyl]-2-[[(2S)-2-[[(2S)-2-[[2-(4-Tert-Butyl-1-Sulfanyl-Cyclohexyl)Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[[(1R)-2-[(2S)-2-[[[(1R)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-Methanethioyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Oxopropyl]-2-[[(2S)-2-[[(2S)-2-[[2-(4-Tert-Butyl-1-Mercaptocyclohexyl)-1-Oxoethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1R)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Thioformyl-Ethyl]Carbamoyl]-3-Keto-Propyl]-2-[[(2S)-2-[[(2S)-2-[[2-(4-Tert-Butyl-1-Mercapto-Cyclohexyl)Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Glutaramide
• Molecular Formula: C₅₅H₈₀N₁₄O₁₂S₂
• Molecular Weight: 1193.44
• CAS Registry Number: 119617-72-0
• SMILES: [C@H](NC(=O)CC1(S)CCC(C(C)(C)C)CC1)(CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@@H](CCC4)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)C=S)CC(=O)N
• 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