Succinyl-nqqxkneqelxeld-nh2

Structural Information

Molecular Formula

C₇₉H₁₂₇N₂₃O₃₂

SMILES

CC(C)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)CCC(=O)O)CCC(=O)N)CCC(=O)O)CC(=O)N)CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C79H127N23O32/c1-37(2)32-49-76(131)97-44(72(127)95-47(18-27-63(115)116)75(130)101-50(33-38(3)4)77(132)99-48(66(86)121)36-65(119)120)15-23-59(109)88-31-9-5-8-30-87-58(108)22-14-43(93-68(123)40(11-19-53(81)103)91-70(125)42(13-21-55(83)105)96-78(133)51(34-56(84)106)89-60(110)24-28-64(117)118)71(126)90-39(10-6-7-29-80)67(122)102-52(35-57(85)107)79(134)98-45(16-25-61(111)112)73(128)92-41(12-20-54(82)104)69(124)94-46(74(129)100-49)17-26-62(113)114/h37-52H,5-36,80H2,1-4H3,(H2,81,103)(H2,82,104)(H2,83,105)(H2,84,106)(H2,85,107)(H2,86,121)(H,87,108)(H,88,109)(H,89,110)(H,90,126)(H,91,125)(H,92,128)(H,93,123)(H,94,124)(H,95,127)(H,96,133)(H,97,131)(H,98,134)(H,99,132)(H,100,129)(H,101,130)(H,102,122)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

QDNYIXJOSQTMMY-CSRTWURCSA-N

Compound name

(4S)-4-[[(2S,5S,8S,11S,14S,17S,20S,34S)-34-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-(3-carboxypropanoylamino)-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-2-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-11-(3-amino-3-oxopropyl)-8,14-bis(2-carboxyethyl)-17-(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-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130244