SMILES和InChIs
SMILES:
c1ccc(cc1)CC(C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CO)N
Canonical SMILES:
OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)CNC(=O)C(CO)N)CCC(=O)N
InChI:
InChI=1S/C57H85N21O15/c58-33(28-79)48(86)69-26-45(83)72-37(17-19-44(60)82)51(89)77-41(29-80)53(91)76-40(24-31-25-68-34-12-5-4-11-32(31)34)52(90)74-38(14-7-21-67-57(64)65)55(93)78-22-8-15-42(78)54(92)73-36(16-18-43(59)81)49(87)70-27-46(84)71-35(13-6-20-66-56(62)63)50(88)75-39(47(61)85)23-30-9-2-1-3-10-30/h1-5,9-12,25,33,35-42,68,79-80H,6-8,13-24,26-29,58H2,(H2,59,81)(H2,60,82)(H2,61,85)(H,69,86)(H,70,87)(H,71,84)(H,72,83)(H,73,92)(H,74,90)(H,75,88)(H,76,91)(H,77,89)(H4,62,63,66)(H4,64,65,67)
InChIKey:
ISNCSKFMYLUXKU-UHFFFAOYSA-N