M5hdr29zug

Structural Information

Molecular Formula

C₆₆H₉₄FN₁₇O₂₀S₂

SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)CCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)C4=CC(=C(C=C4)[18F])C#N

InChI

InChI=1S/C66H94FN17O20S2/c1-34(2)21-46(52(85)26-55(88)77-47(58(70)90)22-35(3)4)79-64(96)49(25-41-29-71-33-74-41)78-56(89)30-84(8)66(98)57(36(5)6)83-59(91)37(7)75-63(95)48(24-40-28-73-44-14-10-9-13-42(40)44)80-62(94)45(18-19-53(69)86)76-54(87)15-11-12-20-72-61(93)50(31-105(99,100)101)82-65(97)51(32-106(102,103)104)81-60(92)38-16-17-43(67)39(23-38)27-68/h9-10,13-14,16-17,23,28-29,33-37,45-52,57,73,85H,11-12,15,18-22,24-26,30-32H2,1-8H3,(H2,69,86)(H2,70,90)(H,71,74)(H,72,93)(H,75,95)(H,76,87)(H,77,88)(H,78,89)(H,79,96)(H,80,94)(H,81,92)(H,82,97)(H,83,91)(H,99,100,101)(H,102,103,104)/t37-,45-,46-,47-,48-,49-,50-,51-,52-,57-/m0/s1/i67-1

InChIKey

BOCGKBPJKDHUME-SCRJELLHSA-N

Compound name

(2R)-3-[[(2R)-1-[[5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentyl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-2-[(3-cyano-4-(18F)fluorobenzoyl)amino]-3-oxopropane-1-sulfonic acid

Related CIDs

• CID 155923141