Tychonamide a

Structural Information

Molecular Formula

C₇₃H₁₀₇N₁₃O₂₀

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=C(C=C6)OC)[C@@H](C)O)CO

InChI

InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1

InChIKey

ODQWSGPULNHBGL-MCIOLPHXSA-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)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-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 139586415