[4-[(2s)-2-amino-3-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-6-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-(4-boronophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-boronophenyl)propanoyl]amino]-1-oxohexan-2-yl]amino]-3-(4-boronophenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]boronic acid

Structural Information

Molecular Formula

C₈₂H₁₀₅B₄N₁₅O₂₄

SMILES

B(C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)B(O)O)C(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)B(O)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CC=C(C=C7)B(O)O)N)N)(O)O

InChI

InChI=1S/C82H105B4N15O24/c87-35-3-1-5-62(77(112)101-70(45-102)82(117)95-64(72(91)107)39-50-15-29-57(103)30-16-50)94-81(116)69(44-71(90)106)100-76(111)63(93-78(113)68(41-49-13-27-56(28-14-49)86(124)125)99-80(115)67(43-52-19-33-59(105)34-20-52)97-74(109)61(89)38-47-9-23-54(24-10-47)84(120)121)6-2-4-36-92-75(110)65(40-48-11-25-55(26-12-48)85(122)123)98-79(114)66(42-51-17-31-58(104)32-18-51)96-73(108)60(88)37-46-7-21-53(22-8-46)83(118)119/h7-34,60-70,102-105,118-125H,1-6,35-45,87-89H2,(H2,90,106)(H2,91,107)(H,92,110)(H,93,113)(H,94,116)(H,95,117)(H,96,108)(H,97,109)(H,98,114)(H,99,115)(H,100,111)(H,101,112)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1

InChIKey

UWWKPVKMCOXDRS-SSLDAUIQSA-N

Compound name

[4-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-boronophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-boronophenyl)propanoyl]amino]-1-oxohexan-2-yl]amino]-3-(4-boronophenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]boronic acid

Related CIDs

• CID 129909563