(1-MERCAPTOCYCLOHEXYL)ACETYL-TYR-OMET-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 [DISULFIDE BRIDGE: 1-6]

CAS No.
73168-24-8
CCD No.
CCD00048668
Formula
C52 H74 N14 O12 S2
MolWeight
1151.37

Basic Information

Product Name: (1-MERCAPTOCYCLOHEXYL)ACETYL-TYR-OMET-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 [DISULFIDE BRIDGE: 1-6]
CAS: 73168-24-8
English Synonyms: [BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENEPROPIONYL1, O-ME-TYR2, ARG8]-VASOPRESSIN ; [1-MERCAPTOCYCLOHEXYL]ACETYL-TYR[O-METHYL]-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 ; MANNING COMPOUND ; (D(CH2)51,TYR(ME)2,ARG8)-VASOPRESSIN ; (1-MERCAPTOCYCLOHEXYL)ACETYL-TYR-OMET-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 [DISULFIDE BRIDGE: 1-6]
MDL Number.: MFCD00076747
H bond acceptor: 26
H bond donor: 13
Smile: COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)Cc5ccccc5
InChi: InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChiKey: InChIKey=QVQOGNOOAMQKCE-ZTYVOHGWSA-N

Property

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H332
hazard symbol: Xn
Risk Code: R:20
Safe Code: S:36
WGK Germany: 3

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