2-[[2-[[2-[[(2r,4r)-1-[2-[[(2s)-2-[[(2s)-2-[[(2r,4r)-1-[2-[[2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,4r)-1-[(2r)-2-acetamido-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]amino]acetic acid

Structural Information

Molecular Formula

C₇₈H₁₃₄N₁₆O₂₁

SMILES

CCC(C)[C@@H](C(=O)N[C@@](C)(CC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CC)C(=O)NC(C)(C)C(=O)N2C[C@@H](C[C@@H]2C(=O)NC(C)(CC)C(=O)NC(C)(CC)C(=O)NCC(=O)O)O)O)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@](C)(CC)NC(=O)C)O

InChI

InChI=1S/C78H134N16O21/c1-26-43(11)54(82-58(104)51-35-46(97)40-94(51)69(115)78(25,31-6)83-44(12)95)60(106)87-75(22,28-3)64(110)81-49(33-42(9)10)55(101)84-70(13,14)61(107)88-71(15,16)62(108)89-72(17,18)67(113)92-38-45(96)34-50(92)57(103)80-48(32-41(7)8)56(102)85-76(23,29-4)65(111)90-73(19,20)68(114)93-39-47(98)36-52(93)59(105)86-77(24,30-5)66(112)91-74(21,27-2)63(109)79-37-53(99)100/h41-43,45-52,54,96-98H,26-40H2,1-25H3,(H,79,109)(H,80,103)(H,81,110)(H,82,104)(H,83,95)(H,84,101)(H,85,102)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,111)(H,91,112)(H,99,100)/t43?,45-,46-,47-,48+,49+,50-,51+,52-,54+,74?,75+,76+,77?,78-/m1/s1

InChIKey

YFTZKWBPDUOAJS-PMVVULJZSA-N

Compound name

2-[[2-[[2-[[(2R,4R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2R,4R)-1-[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,4R)-1-[(2R)-2-acetamido-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]amino]acetic acid

Related CIDs

• CID 492658