Ac-ieaqqhllqltvwgikqlqarilave-conh2

Structural Information

Molecular Formula

C₁₃₉H₂₃₁N₃₉O₃₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)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)C

InChI

InChI=1S/C139H231N39O37/c1-26-72(18)110(157-79(25)180)135(212)166-92(44-51-107(189)190)120(197)155-76(22)116(193)160-88(39-46-101(142)182)122(199)162-90(41-48-103(144)184)125(202)171-99(60-81-62-149-64-153-81)131(208)170-96(57-68(10)11)130(207)169-95(56-67(8)9)129(206)164-91(42-49-104(145)185)124(201)168-97(58-69(12)13)132(209)178-113(78(24)179)138(215)176-109(71(16)17)134(211)173-98(59-80-61-151-83-35-30-29-34-82(80)83)118(195)152-63-105(186)174-111(73(19)27-2)136(213)165-85(36-31-32-52-140)121(198)161-89(40-47-102(143)183)123(200)167-94(55-66(6)7)128(205)163-87(38-45-100(141)181)119(196)154-75(21)115(192)159-86(37-33-53-150-139(147)148)126(203)177-112(74(20)28-3)137(214)172-93(54-65(4)5)127(204)156-77(23)117(194)175-108(70(14)15)133(210)158-84(114(146)191)43-50-106(187)188/h29-30,34-35,61-62,64-78,84-99,108-113,151,179H,26-28,31-33,36-60,63,140H2,1-25H3,(H2,141,181)(H2,142,182)(H2,143,183)(H2,144,184)(H2,145,185)(H2,146,191)(H,149,153)(H,152,195)(H,154,196)(H,155,197)(H,156,204)(H,157,180)(H,158,210)(H,159,192)(H,160,193)(H,161,198)(H,162,199)(H,163,205)(H,164,206)(H,165,213)(H,166,212)(H,167,200)(H,168,201)(H,169,207)(H,170,208)(H,171,202)(H,172,214)(H,173,211)(H,174,186)(H,175,194)(H,176,215)(H,177,203)(H,178,209)(H,187,188)(H,189,190)(H4,147,148,150)/t72-,73-,74-,75-,76-,77-,78+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,108-,109-,110-,111-,112-,113-/m0/s1

InChIKey

KJBAUGYLAMULFS-YFLHIMTRSA-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-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-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 16197390