Integramide b

Structural Information

Molecular Formula

C₇₉H₁₃₆N₁₆O₂₁

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)N[C@@](C)(CC)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/C79H136N16O21/c1-26-44(12)55(83-59(105)52-36-47(98)41-95(52)69(115)78(24,31-6)84-45(13)96)61(107)88-75(21,28-3)65(111)82-50(34-43(10)11)56(102)85-71(14,15)62(108)89-72(16,17)63(109)91-79(25,32-7)70(116)94-40-46(97)35-51(94)58(104)81-49(33-42(8)9)57(103)86-76(22,29-4)66(112)90-73(18,19)68(114)93-39-48(99)37-53(93)60(106)87-77(23,30-5)67(113)92-74(20,27-2)64(110)80-38-54(100)101/h42-44,46-53,55,97-99H,26-41H2,1-25H3,(H,80,110)(H,81,104)(H,82,111)(H,83,105)(H,84,96)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,108)(H,90,112)(H,91,109)(H,92,113)(H,100,101)/t44?,46-,47-,48-,49+,50+,51-,52+,53-,55+,74?,75+,76+,77?,78-,79+/m1/s1

InChIKey

UDYRNHWMILDTFI-AOZQVQQWSA-N

Compound name

2-[[2-[[2-[[(2R,4R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2R,4R)-1-[(2S)-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-methylbutanoyl]-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 492659