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(Z)-2-[6-(propanoylamino)hexanoylamino]but-2-enoic acid

Systemtic Name:	(Z)-2-[6-(propanoylamino)hexanoylamino]but-2-enoic acid
Openeye Name:	(Z)-2-[6-(propanoylamino)hexanoylamino]but-2-enoic acid
CAS Name:	(Z)-2-[[1-oxo-6-(1-oxopropylamino)hexyl]amino]-2-butenoic acid
IUPAC Name:	(Z)-2-[6-(propanoylamino)hexanoylamino]but-2-enoic acid
Traditional Name:	(Z)-2-(6-propionamidohexanoylamino)but-2-enoic acid
Formula:	C₁₃H₂₂N₂O₄
MolecularWeight:	270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCCCCC(=O)NC(=CC)C(=O)O

Isomeric SMILES

CCC(=O)NCCCCCC(=O)N/C(=C\C)/C(=O)O

InChI

InChI=1S/C13H22N2O4/c1-3-10(13(18)19)15-12(17)8-6-5-7-9-14-11(16)4-2/h3H,4-9H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/b10-3-

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N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]icosanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]docosanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]tetracosanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]hexacosanamide
(Z)-N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]tetracos-15-enamide
(Z)-N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-4-[(2R,4S,5S)-4-[(2R,4R,5R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]hexacos-17-enamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4-[(2R,4S,5S)-6-(hydroxymethyl)-4-[(2R,4S,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-5-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]hexadecanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4-[(2R,4S,5S)-6-(hydroxymethyl)-4-[(2R,4S,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-5-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
N-[(E,2S,3R)-1-[(2R,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4-[(2R,4S,5S)-6-(hydroxymethyl)-4-[(2R,4S,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-5-[(2R,3S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]icosanamide