Succinyl-ytslihslixesqn-nh2

Structural Information

Molecular Formula

C₈₂H₁₂₉N₂₁O₂₇

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCCNC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CO)CC2=CN=CN2)[C@@H](C)CC)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N

InChI

InChI=1S/C82H129N21O27/c1-10-42(7)66-80(128)93-49(70(118)91-51(22-27-64(113)114)73(121)99-57(37-104)78(126)92-48(19-23-59(83)108)71(119)95-52(69(85)117)35-60(84)109)20-24-61(110)87-29-13-12-14-30-88-62(111)25-21-50(94-82(130)68(44(9)106)103-77(125)55(90-63(112)26-28-65(115)116)33-45-15-17-47(107)18-16-45)72(120)96-53(31-40(3)4)75(123)102-67(43(8)11-2)81(129)98-56(34-46-36-86-39-89-46)74(122)100-58(38-105)79(127)97-54(32-41(5)6)76(124)101-66/h15-18,36,39-44,48-58,66-68,104-107H,10-14,19-35,37-38H2,1-9H3,(H2,83,108)(H2,84,109)(H2,85,117)(H,86,89)(H,87,110)(H,88,111)(H,90,112)(H,91,118)(H,92,126)(H,93,128)(H,94,130)(H,95,119)(H,96,120)(H,97,127)(H,98,129)(H,99,121)(H,100,122)(H,101,124)(H,102,123)(H,103,125)(H,113,114)(H,115,116)/t42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-/m0/s1

InChIKey

MXKCFFYAPNCKDS-APWHSDGGSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S,5S,8S,11S,14S,17S,20S,34S)-5,17-bis[(2S)-butan-2-yl]-34-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-11-(hydroxymethyl)-8-(1H-imidazol-5-ylmethyl)-2,14-bis(2-methylpropyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130228