SMILES和InChIs
SMILES:
CC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)C
Canonical SMILES:
NC(=N)NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)C)Cc1ccccc1)Cc1[nH]cnc1)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)C(CC(=O)O)N
InChI:
InChI=1S/C56H78N16O12/c1-30(2)46(70-49(78)39(13-9-19-62-56(58)59)65-48(77)38(57)25-45(75)76)53(82)67-41(22-34-15-17-37(74)18-16-34)51(80)71-47(31(3)4)54(83)68-42(23-35-26-60-28-63-35)50(79)69-43(24-36-27-61-29-64-36)55(84)72-20-10-14-44(72)52(81)66-40(32(5)73)21-33-11-7-6-8-12-33/h6-8,11-12,15-18,26-31,38-44,46-47,74H,9-10,13-14,19-25,57H2,1-5H3,(H,60,63)(H,61,64)(H,65,77)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,80)(H,75,76)(H4,58,59,62)
InChIKey:
IMMKELPWVYZRLC-UHFFFAOYSA-N