BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-D-ILE-PHE-ILE-ASN-CYS-PRO-ARG-GLY-NH2

CAS No.
88686-53-7
CCD No.
CCD00098982
Formula
C49 H78 N14 O10 S2
MolWeight
1087.38

Basic Information

Product Name: BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-D-ILE-PHE-ILE-ASN-CYS-PRO-ARG-GLY-NH2
CAS: 88686-53-7
English Synonyms: (D(CH2)51,D-ILE2,ILE4,ARG8)-VASOPRESSIN ; BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-D-ILE-PHE-ILE-ASN-CYS-PRO-ARG-GLY-NH2 ; BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-D-ILE-PHE-ILE-ASN-CYS-PRO-ARG-GLY-NH2 (DISULFIDE BOND)
MDL Number.: MFCD00214662
H bond acceptor: 24
H bond donor: 13
Smile: CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCCCC2)[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)Cc3ccccc3)[C@H](C)CC)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N
InChi: InChI=1S/C49H78N14O10S2/c1-5-27(3)37-44(70)59-32(24-35(50)64)41(67)60-33(47(73)63-22-14-18-34(63)43(69)57-30(17-13-21-55-48(53)54)40(66)56-25-36(51)65)26-74-75-49(19-11-8-12-20-49)39(52)46(72)62-38(28(4)6-2)45(71)58-31(42(68)61-37)23-29-15-9-7-10-16-29/h7,9-10,15-16,27-28,30-34,37-39H,5-6,8,11-14,17-26,52H2,1-4H3,(H2,50,64)(H2,51,65)(H,56,66)(H,57,69)(H,58,71)(H,59,70)(H,60,67)(H,61,68)(H,62,72)(H4,53,54,55)/t27-,28-,30+,31+,32+,33+,34+,37+,38-,39+/m1/s1
InChiKey: InChIKey=ADAIBFLWQNVEQY-FPRKITGRSA-N

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