DESGLUGASTRIN ,51987-65-6 _Chemical Cloud Database

DESGLUGASTRIN

Basic Information
Product Name：	DESGLUGASTRIN
CAS：	51987-65-6
English Synonyms：	DESGLUGASTRIN
MDL Number.：	MFCD00868871
H bond acceptor：	22
H bond donor：	12
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CNC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](C)NC(=O)CCCC(=O)O
InChi：	InChI=1S/C49H61N9O13/c1-27(2)20-36(47(69)58-39(24-43(64)65)49(71)55-35(44(50)66)21-29-10-5-4-6-11-29)57-48(70)38(23-31-25-51-34-13-8-7-12-33(31)34)54-41(61)26-52-46(68)37(22-30-16-18-32(59)19-17-30)56-45(67)28(3)53-40(60)14-9-15-42(62)63/h4-8,10-13,16-19,25,27-28,35-39,51,59H,9,14-15,20-24,26H2,1-3H3,(H2,50,66)(H,52,68)(H,53,60)(H,54,61)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,62,63)(H,64,65)/t28-,35-,36-,37-,38-,39-/m0/s1
InChiKey：	InChIKey=BRUVESZIOCJLDB-GJPUTSFASA-N

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