OCTREOTIDE ,79517-01-4 _Chemical Cloud Database

OCTREOTIDE

Basic Information
Product Name：	OCTREOTIDE
CAS：	79517-01-4 ;83150-76-9
English Synonyms：	(D-PHE)(CYS)(PHE)(D-TRP)(LYS)(THR)(CYS)(THR)-OL ; SMS 201-995 ; D-PHE-CYS-PHE-D-TRP-LYS-THR-CYS-THREONINOL ; HUMAN OCTREOTIDE ; SANDOSTATIN ; OCT ; OCTREOTIDE ACETATE ; PHE-CYS-PHE-TRP-LYS-THR-CYS-THR-OL [DISULFIDE BRIDGE: 2-7] ; FCFWKTCT-OL ; SOMATOSTATIN ANALOGUE ; OCTREOTIDE ; OCTREOTIDE (ACETATE)
MDL Number.：	MFCD00871400
H bond acceptor：	20
H bond donor：	13
Smile：	C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)NC(=O)[C@@H](Cc5ccccc5)N)C(=O)N[C@H](CO)[C@@H](C)O)O
InChi：	InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
InChiKey：	InChIKey=DEQANNDTNATYII-OULOTJBUSA-N
Property
Safety information
WGK Germany：	3

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