CRABROLIN_Chemical Cloud Database

CRABROLIN

Basic Information
Product Name：	CRABROLIN
English Synonyms：	FLPLILRKIVTAL-NH2 ; CRABROLIN
MDL Number.：	MFCD18252138
H bond acceptor：	32
H bond donor：	18
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N
InChi：	InChI=1S/C74H130N18O14/c1-17-44(13)58(90-67(100)54(36-41(7)8)85-68(101)56-30-25-33-92(56)73(106)55(37-42(9)10)87-63(96)49(76)38-48-26-20-19-21-27-48)70(103)86-53(35-40(5)6)66(99)83-51(29-24-32-80-74(78)79)64(97)82-50(28-22-23-31-75)65(98)89-59(45(14)18-2)71(104)88-57(43(11)12)69(102)91-60(47(16)93)72(105)81-46(15)62(95)84-52(61(77)94)34-39(3)4/h19-21,26-27,39-47,49-60,93H,17-18,22-25,28-38,75-76H2,1-16H3,(H2,77,94)(H,81,105)(H,82,97)(H,83,99)(H,84,95)(H,85,101)(H,86,103)(H,87,96)(H,88,104)(H,89,98)(H,90,100)(H,91,102)(H4,78,79,80)/t44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
InChiKey：	InChIKey=QSXDPLQPNHGARA-KZQGOEDHSA-N

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