2-[[30-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1h-indol-3-ylmethyl)-29-methyl-33-(2-methylsulfanylethyl)-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-(4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula

C₈₃H₁₀₃N₁₇O₂₅S

SMILES

CC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CCC(NC(=O)C3CCC(=O)OCC(C(=O)NC(CC(=O)O1)C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54)NC(=O)C6CCCN6C(=O)C(NC2=O)CC7=CC=C(C=C7)O)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)O)CCSC)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C

InChI

InChI=1S/C83H103N17O25S/c1-42-70(99-78(117)59(37-65(84)105)89-67(107)40-87-71(110)57(88-43(2)101)33-44-13-19-48(102)20-14-44)81(120)93-56(29-32-126-3)75(114)90-53-11-6-7-30-85-66(106)27-25-54(74(113)97-62(83(122)123)35-46-17-23-50(104)24-18-46)91-73(112)55-26-28-68(108)124-41-63(98-80(119)64-12-8-31-100(64)82(121)61(96-72(53)111)34-45-15-21-49(103)22-16-45)79(118)95-60(38-69(109)125-42)77(116)94-58(76(115)92-55)36-47-39-86-52-10-5-4-9-51(47)52/h4-5,9-10,13-24,39,42,53-64,70,86,102-104H,6-8,11-12,25-38,40-41H2,1-3H3,(H2,84,105)(H,85,106)(H,87,110)(H,88,101)(H,89,107)(H,90,114)(H,91,112)(H,92,115)(H,93,120)(H,94,116)(H,95,118)(H,96,111)(H,97,113)(H,98,119)(H,99,117)(H,122,123)

InChIKey

FNVONONIUIBRLO-UHFFFAOYSA-N

Compound name

2-[[30-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylsulfanylethyl)-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-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 146684736