BIM-23127

179188-73-9 ;160161-61-5

MFCD03452984

C62 H71 N11 O9 S2

1178.44

InChI=1S/C62H71N11O9S2/c1-35(2)54-62(82)72-53(60(80)68-49(55(65)75)30-38-18-22-40-11-4-6-13-42(40)27-38)34-84-83-33-52(71-56(76)46(64)28-37-17-21-39-10-3-5-12-41(39)26-37)61(81)69-50(29-36-19-23-44(74)24-20-36)58(78)70-51(31-43-32-66-47-15-8-7-14-45(43)47)59(79)67-48(16-9-25-63)57(77)73-54/h3-8,10-15,17-24,26-27,32,35,46,48-54,66,74H,9,16,25,28-31,33-34,63-64H2,1-2H3,(H2,65,75)(H,67,79)(H,68,80)(H,69,81)(H,70,78)(H,71,76)(H,72,82)(H,73,77)/t46-,48+,49-,50+,51+,52+,53+,54+/m1/s1

InChIKey=GLVLDCUADDSQSK-CCNIVULGSA-N

CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccc6ccccc6c5)N)C(=O)N[C@H](Cc7ccc8ccccc8c7)C(=O)N

H bond donor:12

H bond acceptor:20

XLogP3:0.0

Bulk/Fine:F