SIVMAC239-77_Chemical Cloud Database

SIVMAC239-77

Basic Information
Product Name：	SIVMAC239-77
English Synonyms：	H-LEU-ARG-ALA-GLU-GLN-THR-ASP-ALA-ALA-VAL-LYS-ASN-TRP-MET-THR-OH ; LRAEQTDAAVKNWMT ; SIVMAC239-77
MDL Number.：	MFCD03790723
H bond acceptor：	46
H bond donor：	27
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N
InChi：	InChI=1S/C74H120N22O24S/c1-33(2)28-42(76)62(108)87-45(19-15-26-81-74(79)80)63(109)84-36(6)60(106)86-47(21-23-54(101)102)65(111)88-46(20-22-52(77)99)66(112)95-57(38(8)97)72(118)93-51(31-55(103)104)68(114)85-35(5)59(105)83-37(7)61(107)94-56(34(3)4)71(117)90-44(18-13-14-25-75)64(110)92-50(30-53(78)100)70(116)91-49(29-40-32-82-43-17-12-11-16-41(40)43)69(115)89-48(24-27-121-10)67(113)96-58(39(9)98)73(119)120/h11-12,16-17,32-39,42,44-51,56-58,82,97-98H,13-15,18-31,75-76H2,1-10H3,(H2,77,99)(H2,78,100)(H,83,105)(H,84,109)(H,85,114)(H,86,106)(H,87,108)(H,88,111)(H,89,115)(H,90,117)(H,91,116)(H,92,110)(H,93,118)(H,94,107)(H,95,112)(H,96,113)(H,101,102)(H,103,104)(H,119,120)(H4,79,80,81)/t35-,36-,37-,38+,39+,42-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-/m0/s1
InChiKey：	InChIKey=WIDVLJPCWASAFF-VNQSGGJLSA-N

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