Tychonemamide a

Structural Information

Molecular Formula

C₇₂H₁₀₅N₁₃O₁₉

SMILES

CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(CC5=CC=CC=C5)O)OC(=O)[C@H](CC(C)C)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO

InChI

InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1

InChIKey

MTUBMTPWQGVXCG-UDDZTRNDSA-N

Compound name

[1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate

Related CIDs

• CID 155802199
• CID 171990364