PASIREOTIDE ,396091-73-9 _Chemical Cloud Database

PASIREOTIDE

Basic Information
Product Name：	PASIREOTIDE
CAS：	396091-73-9
English Synonyms：	PASIREOTIDE
MDL Number.：	MFCD08067735
H bond acceptor：	19
H bond donor：	9
Smile：	c1ccc(cc1)C[C@H]2C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc4ccc(cc4)OCc5ccccc5)CCCCN)Cc6c[nH]c7c6cccc7)c8ccccc8)OC(=O)NCCN
InChi：	InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1
InChiKey：	InChIKey=VMZMNAABQBOLAK-DBILLSOUSA-N

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