3-[(3s,9s,12s,15s,24r,31s,34s,37s)-6-(2-amino-1-hydroxy-2-oxoethyl)-34-benzyl-9-butan-2-yl-28-heptyl-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

Structural Information

Molecular Formula

C₆₉H₁₁₂N₁₄O₁₉

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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC3=CC=CC=C3)[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/C69H112N14O19/c1-13-15-16-17-21-25-42-34-49(88)77-50(36(5)6)63(96)80-53(56(89)37(7)8)65(98)73-43(29-31-84)59(92)75-45(32-35(3)4)60(93)74-44(27-28-48(70)87)68(101)82(12)55(38(9)14-2)67(100)81-54(57(90)58(71)91)66(99)79-52(40(11)86)69(102)83-30-22-26-47(83)62(95)76-46(33-41-23-19-18-20-24-41)61(94)78-51(39(10)85)64(97)72-42/h18-20,23-24,35-40,42,44-47,50-57,84-86,89-90H,13-17,21-22,25-34H2,1-12H3,(H2,70,87)(H2,71,91)(H,72,97)(H,74,93)(H,75,92)(H,76,95)(H,77,88)(H,78,94)(H,79,99)(H,80,96)(H,81,100)/t38?,39-,40+,42?,44+,45+,46+,47+,50-,51+,52+,53?,54?,55+,56+,57?/m1/s1

InChIKey

RTVQUIAQZLZXQQ-XXXRHEHJSA-N

Compound name

3-[(3S,9S,12S,15S,24R,31S,34S,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-34-benzyl-9-butan-2-yl-28-heptyl-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 155802315