Succinyl-qelleldkwaslwnwf-nh2

Structural Information

Molecular Formula

C₁₁₁H₁₅₃N₂₅O₂₉

SMILES

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)CC2=CNC3=CC=CC=C32)CCCCN)CC(=O)O)CC(C)C)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N

InChI

InChI=1S/C111H153N25O29/c1-58(2)46-79(129-102(156)76(34-40-92(142)143)125-99(153)73(31-36-87(113)137)122-91(141)39-42-94(146)147)105(159)127-75-33-38-90(140)117-45-21-9-20-44-116-89(139)37-32-74(123-97(151)61(7)121-104(158)82(50-63-55-118-69-27-15-12-24-66(63)69)132-98(152)72(30-18-19-43-112)124-111(165)86(54-95(148)149)136-107(161)81(48-60(5)6)131-103(157)77(126-100(75)154)35-41-93(144)145)101(155)130-80(47-59(3)4)106(160)133-84(52-65-57-120-71-29-17-14-26-68(65)71)109(163)135-85(53-88(114)138)110(164)134-83(51-64-56-119-70-28-16-13-25-67(64)70)108(162)128-78(96(115)150)49-62-22-10-8-11-23-62/h8,10-17,22-29,55-61,72-86,118-120H,9,18-21,30-54,112H2,1-7H3,(H2,113,137)(H2,114,138)(H2,115,150)(H,116,139)(H,117,140)(H,121,158)(H,122,141)(H,123,151)(H,124,165)(H,125,153)(H,126,154)(H,127,159)(H,128,162)(H,129,156)(H,130,155)(H,131,157)(H,132,152)(H,133,160)(H,134,164)(H,135,163)(H,136,161)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/t61-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1

InChIKey

DRUVYBWWJREOBF-ODIIFNLDSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,5S,8S,11S,14S,17S,20S,34S)-20-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-11-(4-aminobutyl)-2-(2-carboxyethyl)-8-(carboxymethyl)-14-(1H-indol-3-ylmethyl)-17-methyl-5-(2-methylpropyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacont-34-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-(3-carboxypropanoylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197373