SMILES and InChIs
SMILES:
c1ccc(cc1)CC(C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(Cc1ccc(cc1)O)C(=O)O)NC(=O)C(CCCCN)N
Canonical SMILES:
NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1[nH]cnc1)CO)Cc1[nH]cnc1)Cc1[nH]cnc1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)Cc1ccccc1)Cc1[nH]cnc1)CCC(=O)O
InChI:
InChI=1S/C70H99N25O17/c71-20-6-4-11-46(73)59(101)90-50(23-39-9-2-1-3-10-39)63(105)92-51(25-41-29-76-35-82-41)65(107)89-49(18-19-58(99)100)62(104)88-48(12-5-7-21-72)61(103)91-53(27-43-31-78-37-84-43)66(108)93-54(28-44-32-79-38-85-44)67(109)95-56(34-96)68(110)94-52(26-42-30-77-36-83-42)64(106)87-47(13-8-22-80-70(74)75)60(102)81-33-57(98)86-55(69(111)112)24-40-14-16-45(97)17-15-40/h1-3,9-10,14-17,29-32,35-38,46-56,96-97H,4-8,11-13,18-28,33-34,71-73H2,(H,76,82)(H,77,83)(H,78,84)(H,79,85)(H,81,102)(H,86,98)(H,87,106)(H,88,104)(H,89,107)(H,90,101)(H,91,103)(H,92,105)(H,93,108)(H,94,110)(H,95,109)(H,99,100)(H,111,112)(H4,74,75,80)
InChIKey:
JQZXHRXVJFXBKA-UHFFFAOYSA-N