Succinyl-slixesqnqqxkne-nh2

Structural Information

Molecular Formula

C₇₅H₁₂₅N₂₃O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H]1CCC(=O)NCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)CO)CCC(=O)N)CC(=O)N)CCC(=O)N)CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NCCC(=O)O

InChI

InChI=1S/C75H125N23O29/c1-5-37(4)61(98-72(124)46(31-36(2)3)94-73(125)49(34-99)83-30-26-60(112)113)75(127)93-44-16-23-57(107)85-29-10-6-9-28-84-56(106)22-15-43(66(118)87-39(11-7-8-27-76)63(115)95-47(32-54(80)104)70(122)86-38(62(82)114)17-24-58(108)109)89-64(116)40(12-19-51(77)101)88-65(117)41(13-20-52(78)102)91-71(123)48(33-55(81)105)96-68(120)42(14-21-53(79)103)92-74(126)50(35-100)97-69(121)45(90-67(44)119)18-25-59(110)111/h36-50,61,83,99-100H,5-35,76H2,1-4H3,(H2,77,101)(H2,78,102)(H2,79,103)(H2,80,104)(H2,81,105)(H2,82,114)(H,84,106)(H,85,107)(H,86,122)(H,87,118)(H,88,117)(H,89,116)(H,90,119)(H,91,123)(H,92,126)(H,93,127)(H,94,125)(H,95,115)(H,96,120)(H,97,121)(H,98,124)(H,108,109)(H,110,111)(H,112,113)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,61-/m0/s1

InChIKey

AXQUGHPROXWLPC-SMMCIRKXSA-N

Compound name

(4S)-5-amino-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,5S,8S,11S,14S,17S,20S,34S)-11-(2-amino-2-oxoethyl)-8,14,17-tris(3-amino-3-oxopropyl)-2-(2-carboxyethyl)-34-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-(2-carboxyethylamino)-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-(hydroxymethyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130229