N-[[(1s,2s)-2-[3-[(2-aminoacetyl)amino]-4-hydroxy-phenyl]-1,2-dihydroxy-ethyl]-[(1s)-3-amino-1-hydroxy-3-oxo-propyl]-tetrahydroxy-[(1s)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide

Structural Information

Molecular Formula

C₅₂H₈₄N₁₀O₁₈

SMILES

CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@H](C)O)O)[C@@H]([C@H](C4=CC(=C(C=C4)O)NC(=O)CN)O)O)[C@H](CC(=O)N)O)O)O)O

InChI

InChI=1S/C52H84N10O18/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(70)56-31-21-36(68)48(76)60-50(78)43-34(66)16-17-61(43)52(80)41(35(67)22-37(54)69)58-49(77)42(45(73)44(72)28-14-15-33(65)30(19-28)55-39(71)23-53)59-47(75)32-20-29(64)24-62(32)51(79)40(27(4)63)57-46(31)74/h14-15,19,25-27,29,31-32,34-36,40-45,48,63-68,72-73,76H,5-13,16-18,20-24,53H2,1-4H3,(H2,54,69)(H,55,71)(H,56,70)(H,57,74)(H,58,77)(H,59,75)(H,60,78)/t25?,26?,27-,29+,31?,32-,34-,35-,36+,40-,41-,42-,43-,44-,45-,48+/m0/s1

InChIKey

JEFYZWMIOKCYDC-GAFQDDIVSA-N

Compound name

N-[(3S,6S,9S,11R,15S,20R,21R,24S,25S)-6-[(1S,2S)-2-[3-[(2-aminoacetyl)amino]-4-hydroxyphenyl]-1,2-dihydroxyethyl]-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

Related CIDs

• CID 474791