CARBETOCIN ,37025-55-1 _Chemical Cloud Database

CARBETOCIN

Basic Information
Product Name：	CARBETOCIN
CAS：	37025-55-1
English Synonyms：	(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCIN ; BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2 (SULFIDE BOND BETWEEN BUTYRYL-4-YL AND CYS) ; 1-CARBAOXYTOCIN, 1-BUTANOIC ACID-2-(O-METHYL-L-TYROSINE)- ; CARBETOCIN ; (BUTYRYL1,TYR(ME)2)-OXYTOCIN ; CARBETOCIN ACETATE ; [1-DEAMINO-1-MONOCARBA-2-O-METHYLTYROSINE]-OXYTOCIN ; BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2 (SULFIDE BOND BUTYRYL-4-YL AND CYS) ; BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2
MDL Number.：	MFCD01076600
H bond acceptor：	23
H bond donor：	10
Smile：	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChi：	InChI=1S/C45H69N11O12S/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/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)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
InChiKey：	InChIKey=NSTRIRCPWQHTIA-DTRKZRJBSA-N

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