SIVMAC239-70_Chemical Cloud Database

SIVMAC239-70

Basic Information
Product Name：	SIVMAC239-70
English Synonyms：	SIVMAC239-70 ; MYNPTNILDVKQGPK ; H-MET-TYR-ASN-PRO-THR-ASN-ILE-LEU-ASP-VAL-LYS-GLN-GLY-PRO-LYS-OH
MDL Number.：	MFCD03790716
H bond acceptor：	43
H bond donor：	22
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CCSC)N
InChi：	InChI=1S/C76H124N20O23S/c1-9-40(6)61(93-68(110)50(34-56(81)100)90-74(116)62(41(7)97)94-71(113)54-19-15-30-96(54)75(117)52(35-57(82)101)91-67(109)49(33-42-20-22-43(98)23-21-42)87-63(105)44(79)26-31-120-8)73(115)89-48(32-38(2)3)66(108)88-51(36-59(103)104)69(111)92-60(39(4)5)72(114)85-45(16-10-12-27-77)65(107)84-46(24-25-55(80)99)64(106)83-37-58(102)95-29-14-18-53(95)70(112)86-47(76(118)119)17-11-13-28-78/h20-23,38-41,44-54,60-62,97-98H,9-19,24-37,77-79H2,1-8H3,(H2,80,99)(H2,81,100)(H2,82,101)(H,83,106)(H,84,107)(H,85,114)(H,86,112)(H,87,105)(H,88,108)(H,89,115)(H,90,116)(H,91,109)(H,92,111)(H,93,110)(H,94,113)(H,103,104)(H,118,119)/t40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1
InChiKey：	InChIKey=MMIGQDVQPXZOPR-SPCMWIQKSA-N

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