Dtxsid101334683

Structural Information

Molecular Formula

C₈₀H₁₀₅N₁₉O₂₂

SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC1C(OC(=O)CC2C(=O)NC(C(=O)NC3CCC(=O)OCC(C(=O)N2)NC(=O)C4CCCN4C(=O)C(NC(=O)C(CCCCNC(=O)CCC(NC3=O)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)O)NC(=O)C(NC1=O)CCCNC(=N)N)CC7=CC=C(C=C7)O)CC8=CNC9=CC=CC=C98)C)NC(=O)C

InChI

InChI=1S/C80H105N19O22/c1-5-40(2)65(87-42(4)101)76(115)96-59(38-100)73(112)98-66-41(3)121-64(105)35-56-72(111)92-55(33-44-36-85-49-16-8-6-14-47(44)49)71(110)90-54-26-28-63(104)120-39-60(74(113)93-56)97-75(114)61-20-13-31-99(61)78(117)57(32-43-21-23-46(102)24-22-43)94-68(107)51(88-67(106)52(91-77(66)116)19-12-30-84-80(81)82)18-10-11-29-83-62(103)27-25-53(89-69(54)108)70(109)95-58(79(118)119)34-45-37-86-50-17-9-7-15-48(45)50/h6-9,14-17,21-24,36-37,40-41,51-61,65-66,85-86,100,102H,5,10-13,18-20,25-35,38-39H2,1-4H3,(H,83,103)(H,87,101)(H,88,106)(H,89,108)(H,90,110)(H,91,116)(H,92,111)(H,93,113)(H,94,107)(H,95,109)(H,96,115)(H,97,114)(H,98,112)(H,118,119)(H4,81,82,84)

InChIKey

UHZXWOOHTDKOIX-UHFFFAOYSA-N

Compound name

2-[[30-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-33-(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

Related CIDs

• CID 155802357