(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-[(4-boronobenzoyl)amino]-2-[[(2s)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2s)-6-amino-1-[[(2s)-6-[(4-boronobenzoyl)amino]-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula

C₈₃H₁₄₀B₂N₂₀O₁₉

SMILES

B(C1=CC=C(C=C1)C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C=C2)B(O)O)C(=O)N[C@@H](CCCCN)C(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCCCN)N)(O)O

InChI

InChI=1S/C83H140B2N20O19/c1-53(2)51-69(82(118)103-66(26-8-17-47-91)81(117)105-70(83(119)120)52-54-30-40-59(106)41-31-54)104-80(116)65(25-7-16-46-90)101-79(115)68(102-78(114)64(24-6-15-45-89)100-77(113)63(98-74(110)60(92)21-3-12-42-86)27-10-19-49-95-72(108)55-32-36-57(37-33-55)84(121)122)28-9-18-48-94-62(23-5-14-44-88)75(111)99-67(76(112)97-61(71(93)107)22-4-13-43-87)29-11-20-50-96-73(109)56-34-38-58(39-35-56)85(123)124/h30-41,53,60-70,94,106,121-124H,3-29,42-52,86-92H2,1-2H3,(H2,93,107)(H,95,108)(H,96,109)(H,97,112)(H,98,110)(H,99,111)(H,100,113)(H,101,115)(H,102,114)(H,103,118)(H,104,116)(H,105,117)(H,119,120)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1

InChIKey

HWPRKVVEVAKBKZ-SSLDAUIQSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-[(4-boronobenzoyl)amino]-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2S)-6-amino-1-[[(2S)-6-[(4-boronobenzoyl)amino]-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 129909625