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VA10492 CARBETOCIN

Product Name CARBETOCIN
Catalog No. VA10492
CAS No. 37025-55-1
Molecular Formula C45H69N11O12S.C2Ho2F3
Molecular Weight 1102.1842
Synonyms BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2, (SULFIDE BOND BETWEEN BUTYRYL-4-YL AND CYS);
Smile Code NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1N(CCC1)C(=O)C2NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)CC)NC(=O)C(NC(=O)CCCSC2)CC3=CC=C(OC)C=C3.FC(F)(F)C(O)=O
InChI InChI=1S/C45H69N11O12S.C2HF3O2/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59;3-2(4,5)1(6)7/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64);(H,6,7)
EINECS 253-312-6
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