Dtxsid601334290

Structural Information

Molecular Formula

C₆₉H₁₁₂N₁₄O₂₀

SMILES

CCCCCCCC1CC(=O)N[C@@H](C(=O)NC(C(=O)N=C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC3=CC=CC=C3)O)[C@H](C)O)C(C(=O)N)O)C(C)CC)C)CCC(=O)N)CC(C)C)CCO)[C@H](C(C)C)O)C(C)C

InChI

InChI=1S/C69H112N14O20/c1-13-15-16-17-21-24-41-31-49(89)77-50(35(5)6)63(97)80-53(56(90)36(7)8)65(99)73-43(27-28-84)59(93)75-45(29-34(3)4)60(94)74-44(25-26-48(70)88)68(102)82(12)55(37(9)14-2)67(101)81-54(57(91)58(71)92)66(100)79-52(39(11)86)69(103)83-33-42(87)32-47(83)62(96)76-46(30-40-22-19-18-20-23-40)61(95)78-51(38(10)85)64(98)72-41/h18-20,22-23,34-39,41-42,44-47,50-57,84-87,90-91H,13-17,21,24-33H2,1-12H3,(H2,70,88)(H2,71,92)(H,72,98)(H,74,94)(H,75,93)(H,76,96)(H,77,89)(H,78,95)(H,79,100)(H,80,97)(H,81,101)/t37?,38-,39+,41?,42-,44+,45+,46+,47+,50-,51+,52+,53?,54?,55+,56+,57?/m1/s1

InChIKey

ZQEJMIHHZHRPMS-ZMZNRXGRSA-N

Compound name

3-[(3S,9S,12S,15S,24R,31S,34S,37S,39R)-6-(2-amino-1-hydroxy-2-oxoethyl)-34-benzyl-9-butan-2-yl-28-heptyl-39-hydroxy-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-18-(2-hydroxyethyl)-21-[(1S)-1-hydroxy-2-methylpropyl]-10-methyl-15-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracont-18-en-12-yl]propanamide

Related CIDs

• CID 155802456