Ac-qhllqltvwgikqlqarilave-conh2

Structural Information

Molecular Formula

C₁₂₀H₂₀₀N₃₄O₃₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)C

InChI

InChI=1S/C120H200N34O30/c1-23-64(17)96(117(182)142-75(32-27-28-44-121)104(169)139-79(36-41-90(124)159)106(171)143-82(47-58(5)6)110(175)140-78(35-40-89(123)158)103(168)134-66(19)100(165)138-76(33-29-45-130-120(127)128)108(173)153-97(65(18)24-2)118(183)148-81(46-57(3)4)109(174)135-67(20)101(166)151-94(62(13)14)115(180)137-74(99(126)164)38-43-93(162)163)150-92(161)55-132-102(167)86(51-70-53-131-73-31-26-25-30-72(70)73)149-116(181)95(63(15)16)152-119(184)98(68(21)155)154-114(179)85(50-61(11)12)144-107(172)80(37-42-91(125)160)141-111(176)83(48-59(7)8)145-112(177)84(49-60(9)10)146-113(178)87(52-71-54-129-56-133-71)147-105(170)77(136-69(22)156)34-39-88(122)157/h25-26,30-31,53-54,56-68,74-87,94-98,131,155H,23-24,27-29,32-52,55,121H2,1-22H3,(H2,122,157)(H2,123,158)(H2,124,159)(H2,125,160)(H2,126,164)(H,129,133)(H,132,167)(H,134,168)(H,135,174)(H,136,156)(H,137,180)(H,138,165)(H,139,169)(H,140,175)(H,141,176)(H,142,182)(H,143,171)(H,144,172)(H,145,177)(H,146,178)(H,147,170)(H,148,183)(H,149,181)(H,150,161)(H,151,166)(H,152,184)(H,153,173)(H,154,179)(H,162,163)(H4,127,128,130)/t64-,65-,66-,67-,68+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-,95-,96-,97-,98-/m0/s1

InChIKey

RMAPMOGYOYZWFX-GHBOCJMESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 16197388