K-e-t-w-e-t-w-w-t-n-y-w-e

Structural Information

Molecular Formula

C₉₂H₁₁₆N₂₀O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C92H116N20O24S/c1-46(113)77(110-82(126)65(28-31-75(120)121)101-80(124)59(94)18-12-13-33-93)90(134)107-69(38-51-43-98-61-20-9-5-15-56(51)61)86(130)103-66(29-32-76(122)123)83(127)111-78(47(2)114)91(135)108-70(39-52-44-99-62-21-10-6-16-57(52)62)87(131)106-71(40-53-45-100-63-22-11-7-17-58(53)63)89(133)112-79(48(3)115)92(136)109-72(41-73(95)117)88(132)104-67(36-49-23-25-54(116)26-24-49)84(128)105-68(37-50-42-97-60-19-8-4-14-55(50)60)85(129)102-64(27-30-74(118)119)81(125)96-34-35-137/h4-11,14-17,19-26,42-48,59,64-72,77-79,97-100,113-116,137H,12-13,18,27-41,93-94H2,1-3H3,(H2,95,117)(H,96,125)(H,101,124)(H,102,129)(H,103,130)(H,104,132)(H,105,128)(H,106,131)(H,107,134)(H,108,135)(H,109,136)(H,110,126)(H,111,127)(H,112,133)(H,118,119)(H,120,121)(H,122,123)/t46-,47-,48-,59+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,78+,79+/m1/s1

InChIKey

AZQDTMMBSHDBGR-MYMZSVBDSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130585