Qx4u8jpv3z

Structural Information

Molecular Formula

C₇₅H₉₄FN₁₅O₁₉

SMILES

CCC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CC3=CN=C(C=C3)C4=CC=CC=C4C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(CC5=CC=CC=C5F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C75H94FN15O19/c1-9-44-30-48(110-8)23-24-50(44)45-21-18-42(19-22-45)28-56(67(103)83-55(64(78)100)29-43-20-25-53(80-34-43)49-16-12-10-14-39(49)2)84-68(104)57(32-61(98)99)85-69(105)58(37-92)86-70(106)62(40(3)93)89-73(109)75(7,33-46-15-11-13-17-51(46)76)91-71(107)63(41(4)94)88-59(95)36-81-66(102)54(26-27-60(96)97)87-72(108)74(5,6)90-65(101)52(77)31-47-35-79-38-82-47/h10-25,30,34-35,38,40-41,52,54-58,62-63,92-94H,9,26-29,31-33,36-37,77H2,1-8H3,(H2,78,100)(H,79,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t40-,41-,52+,54+,55+,56+,57+,58+,62+,63+,75+/m1/s1

InChIKey

ZLVRQSAYTXYDPX-VGLKCPPXSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-[6-(2-methylphenyl)pyridin-3-yl]-1-oxopropan-2-yl]amino]-3-[4-(2-ethyl-4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16158445