SDZ-216,887_Chemical Cloud Database

SDZ-216,887

Basic Information
Product Name：	SDZ-216,887
English Synonyms：	AC-NAL-CPA-TRP-SER-TYR-LYS-DHP-LEU-LYS-DHP-PRO-ALA-NH2 ; SDZ-216,887
MDL Number.：	MFCD02684415
H bond acceptor：	29
H bond donor：	15
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCNC1CCC=CO1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC3CCC=CO3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@@H](Cc7ccc(cc7)Cl)NC(=O)[C@@H](Cc8cccc9c8cccc9)NC(=O)C
InChi：	InChI=1S/C83H107ClN14O15/c1-50(2)43-65(76(104)92-64(26-10-14-39-87-73-29-12-16-42-113-73)83(111)98-40-18-27-71(98)82(110)89-51(3)74(85)102)93-75(103)63(25-9-13-38-86-72-28-11-15-41-112-72)91-77(105)66(45-54-32-36-59(101)37-33-54)95-81(109)70(49-99)97-80(108)69(47-57-48-88-62-24-8-7-23-61(57)62)96-78(106)67(44-53-30-34-58(84)35-31-53)94-79(107)68(90-52(4)100)46-56-21-17-20-55-19-5-6-22-60(55)56/h5-8,15-17,19-24,30-37,41-42,48,50-51,63-73,86-88,99,101H,9-14,18,25-29,38-40,43-47,49H2,1-4H3,(H2,85,102)(H,89,110)(H,90,100)(H,91,105)(H,92,104)(H,93,103)(H,94,107)(H,95,109)(H,96,106)(H,97,108)/t51-,63-,64+,65+,66+,67-,68-,69-,70+,71+,72?,73?/m1/s1
InChiKey：	InChIKey=SPMIOJCDPLROQD-IDEKEYABSA-N
Property
Safety information
Symbol：	GHS08
Signal word：	Warning
Hazard statements：	H371
Precautionary statements：	P260
hazard symbol：	Xn
Risk Code：	R:20/21/22-68/20/21/22
Safe Code：	S:36/37
WGK Germany：	3

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