NACARTOCIN

77727-10-7

MFCD00869098

C46 H71 N11 O11 S

986.199

InChI=1S/C46H71N11O11S/c1-6-25(4)38(44(66)50-24-36(49)60)56-43(65)33-10-9-19-57(33)46(68)30-17-20-69-21-18-37(61)51-31(22-28-13-11-27(8-3)12-14-28)42(64)55-39(26(5)7-2)45(67)52-29(15-16-34(47)58)40(62)54-32(23-35(48)59)41(63)53-30/h11-14,25-26,29-33,38-39H,6-10,15-24H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,66)(H,51,61)(H,52,67)(H,53,63)(H,54,62)(H,55,64)(H,56,65)/t25?,26?,29-,30+,31+,32+,33+,38+,39+/m1/s1

InChIKey=LCJYKCPJIVWMMO-WRFYSICISA-N

CCc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC

H bond donor:10

H bond acceptor:22

XLogP3:-4.0

Bulk/Fine:F