basic_info |
|
| Product_Name： | BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ET)-PHE-VAL-ASN-CYS-PRO-ARG-GLY-NH2 |
| CAS： | 77453-01-1 |
| EnglishSynonyms： | (1-MERCAPTOCYCLOHEXYL)ACETYL-TYR(O-ETHYL)-PHE-VAL-ASN-CYS-PRO-ARG-GLY-NH2 [DISULFIDE BRIDGE: 1-6] ; VASOPRESSIN (PMP1,TYR(ET)2,VAL4,ARG8) CYCLIC ; [BETA-MERCAPTO-BETA, BETA-CYCLOPENTAMETHYLENEPROPIONYL1, O-ET-TYR2, VAL4, ARG8]-VASOPRESSIN ; PMP-L-TYR(OET)-PHE-VAL-ASN-CYS-PRO-ARG-GLY-NH2 ; (D(CH2)51,TYR(ET)2,VAL4,ARG8)-VASOPRESSIN ; BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ET)-PHE-VAL-ASN-CYS-PRO-ARG-GLY-NH2 |
| pro_mdlNumber： | MFCD00076752 |
| pro_acceptors： | 24 |
| pro_donors： | 12 |
| pro_smile： | CCOc1ccc(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)C(C)C)Cc5ccccc5 |
| InChi： | InChI=1S/C53H77N13O11S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(71)62-37(25-32-13-7-5-8-14-32)48(73)65-44(31(2)3)50(75)63-38(27-41(54)67)47(72)64-39(30-78-79-53(28-43(69)60-36)21-9-6-10-22-53)51(76)66-24-12-16-40(66)49(74)61-35(15-11-23-58-52(56)57)45(70)59-29-42(55)68/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H4,56,57,58)/t35-,36-,37-,38-,39-,40-,44-/m0/s1 |
| InChiKey： | InChIKey=SDFJYGJKEXYVCG-ZZTMPEIHSA-N |
property |
|
secure_info |
|
| secure_symbol： |
GHS07
|
| secure_signal_word： | Warning |
| secure_risk_stmt： | H332 |
| secure_damage_code： | Xn |
| secure_risk_disclosure_stmt： | R:20 |
| secure_security_stmt： | S:36 |
| secure_wgk_germany： | 3 |
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