methyl 2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetyl]amino]-3-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate
Molecular Formula:
C60H79N9O28
InChI: InChI=1/C60H79N9O28/c1-91-44(79)21-63-42(77)19-65-55(88)34(16-26-10-12-27(73)13-11-26)67-56(89)35(66-43(78)20-62-41(76)18-64-54(87)33(14-15-39(61)74)68-60(90)92-25-32-30-8-4-2-6-28(30)29-7-3-5-9-31(29)32)17-40(75)69-57-49(84)47(82)52(37(23-71)93-57)96-59-51(86)48(83)53(38(24-72)95-59)97-58-50(85)46(81)45(80)36(22-70)94-58/h2-13,32-38,45-53,57-59,70-73,80-86H,14-25H2,1H3,(H2,61,74)(H,62,76)(H,63,77)(H,64,87)(H,65,88)(H,66,78)(H,67,89)(H,68,90)(H,69,75)/t33-,34-,35-,36+,37+,38+,45+,46-,47+,48+,49+,50+,51+,52+,53+,57+,58+,59+/m0/s1/f/h62-69H,61H2
InChIKey: InChIKey=ULNIPAAYKPPAOX-XGNRANAHDN
SMILES: COC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)NC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)N)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
Names:
methyl 2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetyl]amino]-3-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate
Registries:
PubChem CID 10909411
PubChem ID 15958115
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