SMILES和InChIs
SMILES:
CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)NC(C(C)O)C(=O)N)NC(=O)C1CCC(=O)N1
Canonical SMILES:
OCC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N)C(O)C)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCC(=O)N1)CC(=O)N)Cc1ccccc1
InChI:
InChI=1S/C50H67N13O14/c1-25(2)41(62-45(72)31-15-16-38(67)56-31)49(76)59-34(20-37(51)66)47(74)58-32(18-27-10-5-4-6-11-27)46(73)60-35(24-64)50(77)63-17-9-14-36(63)48(75)55-22-39(68)57-33(19-28-21-53-30-13-8-7-12-29(28)30)44(71)54-23-40(69)61-42(26(3)65)43(52)70/h4-8,10-13,21,25-26,31-36,41-42,53,64-65H,9,14-20,22-24H2,1-3H3,(H2,51,66)(H2,52,70)(H,54,71)(H,55,75)(H,56,67)(H,57,68)(H,58,74)(H,59,76)(H,60,73)(H,61,69)(H,62,72)
InChIKey:
NHXHBXCOYZFUSO-UHFFFAOYSA-N