Sp89047

Structural Information

Molecular Formula

C₁₀₆H₁₈₁N₄₃O₃₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C106H181N43O32/c1-11-48(5)77(97(176)134-56(25-26-69(108)154)85(164)133-57(27-33-123-102(113)114)82(161)129-45-74(159)148-38-18-23-67(148)93(172)128-44-73(158)131-58(28-34-124-103(115)116)83(162)130-50(7)81(160)138-62(40-54-20-14-13-15-21-54)90(169)143-76(47(3)4)96(175)147-80(53(10)153)101(180)181)144-87(166)60(30-36-126-105(119)120)135-98(177)78(49(6)12-2)145-92(171)66(46-150)142-84(163)55(22-16-17-32-107)132-86(165)59(29-35-125-104(117)118)136-99(178)79(52(9)152)146-91(170)65(43-72(111)157)140-88(167)63(41-70(109)155)139-89(168)64(42-71(110)156)141-94(173)68-24-19-39-149(68)100(179)61(31-37-127-106(121)122)137-95(174)75(112)51(8)151/h13-15,20-21,47-53,55-68,75-80,150-153H,11-12,16-19,22-46,107,112H2,1-10H3,(H2,108,154)(H2,109,155)(H2,110,156)(H2,111,157)(H,128,172)(H,129,161)(H,130,162)(H,131,158)(H,132,165)(H,133,164)(H,134,176)(H,135,177)(H,136,178)(H,137,174)(H,138,160)(H,139,168)(H,140,167)(H,141,173)(H,142,163)(H,143,169)(H,144,166)(H,145,171)(H,146,170)(H,147,175)(H,180,181)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)/t48-,49-,50-,51+,52+,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-/m0/s1

InChIKey

UKIMAPRPMZBLTM-VMFNUBQHSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carbamimidamidobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 16186421