A 71915 ,132956-87-7 _Chemical Cloud Database

A 71915

Basic Information
Product Name：	A 71915
CAS：	132956-87-7
English Synonyms：	A 71915
MDL Number.：	MFCD00672741
H bond acceptor：	41
H bond donor：	26
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)N
InChi：	InChI=1S/C69H117N25O16S2/c1-5-36(3)53(92-58(102)42(21-13-25-80-67(73)74)85-51(96)32-83-50(95)31-84-56(100)45(28-38-16-8-7-9-17-38)88-61(105)47(34-111)90-55(99)41(70)20-12-24-79-66(71)72)63(107)89-46(30-52(97)98)60(104)86-44(23-15-27-82-69(77)78)59(103)93-54(37(4)6-2)64(108)94-33-40-19-11-10-18-39(40)29-49(94)62(106)87-43(22-14-26-81-68(75)76)57(101)91-48(35-112)65(109)110/h10-11,18-19,36-38,41-49,53-54,111-112H,5-9,12-17,20-35,70H2,1-4H3,(H,83,95)(H,84,100)(H,85,96)(H,86,104)(H,87,106)(H,88,105)(H,89,107)(H,90,99)(H,91,101)(H,92,102)(H,93,103)(H,97,98)(H,109,110)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49+,53-,54-/m0/s1
InChiKey：	InChIKey=ROKYUKIERZGUKO-AIUKOVOMSA-N

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