NPC 16731 ,130308-39-3 _Chemical Cloud Database

NPC 16731

Basic Information
Product Name：	NPC 16731
CAS：	130308-39-3
English Synonyms：	NPC 16731
MDL Number.：	MFCD00897223
H bond acceptor：	32
H bond donor：	18
Smile：	c1ccc2c(c1)C[C@H](N(C2)C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc5ccsc5)NC(=O)CNC(=O)[C@@H]6C[C@@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChi：	InChI=1S/C60H85N19O13S/c61-39(13-5-18-68-58(62)63)49(83)73-40(14-6-19-69-59(64)65)53(87)76-21-8-16-44(76)55(89)79-30-38(81)26-46(79)51(85)71-27-48(82)72-42(23-33-17-22-93-32-33)50(84)75-43(31-80)54(88)78-29-37-12-4-2-10-35(37)25-47(78)56(90)77-28-36-11-3-1-9-34(36)24-45(77)52(86)74-41(57(91)92)15-7-20-70-60(66)67/h1-4,9-12,17,22,32,38-47,80-81H,5-8,13-16,18-21,23-31,61H2,(H,71,85)(H,72,82)(H,73,83)(H,74,86)(H,75,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39+,40-,41-,42-,43-,44-,45-,46-,47+/m0/s1
InChiKey：	InChIKey=YIPCMZHKSPRFDB-IJGLZJRTSA-N

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