Refchem:932004

Structural Information

Molecular Formula

C₈₆H₁₀₃Cl₂N₁₇O₁₄

SMILES

CCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7C(C(CN7C(=O)[C@H](C)NC(=O)[C@@H]8C(CCN8C(=O)[C@H](CCCCN)NC(=O)C9=CN=CC=C9)C1=CN=CC=C1)Cl)Cl

InChI

InChI=1S/C86H103Cl2N17O14/c1-5-6-29-64(86(118)119)97-76(108)65(38-49(2)3)98-79(111)68(41-55-46-93-61-30-15-13-27-57(55)61)100-77(109)66(39-51-21-9-7-10-22-51)99-80(112)69(42-56-47-94-62-31-16-14-28-58(56)62)101-81(113)70(43-71(90)106)102-78(110)67(40-52-23-11-8-12-24-52)103-83(115)74-72(88)60(87)48-105(74)84(116)50(4)95-82(114)73-59(53-25-19-35-91-44-53)33-37-104(73)85(117)63(32-17-18-34-89)96-75(107)54-26-20-36-92-45-54/h7-16,19-28,30-31,35-36,44-47,49-50,59-60,63-70,72-74,93-94H,5-6,17-18,29,32-34,37-43,48,89H2,1-4H3,(H2,90,106)(H,95,114)(H,96,107)(H,97,108)(H,98,111)(H,99,112)(H,100,109)(H,101,113)(H,102,110)(H,103,115)(H,118,119)/t50-,59?,60?,63-,64-,65-,66-,67-,68-,69-,70-,72?,73-,74-/m0/s1

InChIKey

GFMHGFPPCYBUCK-HBUFSDLISA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(pyridine-3-carbonylamino)hexanoyl]-3-pyridin-3-ylpyrrolidine-2-carbonyl]amino]propanoyl]-3,4-dichloropyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Related CIDs

• CID 44458789