(2S)-2-[[2-methyl-2-[8-[[(E)-3-phenylprop-2-enoyl]amino]octanoylamino]propanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[2-methyl-2-[8-[[(E)-3-phenylprop-2-enoyl]amino]octanoylamino]propanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[2-methyl-2-[8-[[(E)-3-phenylprop-2-enoyl]amino]octanoylamino]propanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-methyl-1-oxo-2-[[1-oxo-8-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]octyl]amino]propyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-methyl-2-[8-[[(E)-3-phenylprop-2-enoyl]amino]octanoylamino]propanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-methyl-2-[8-[[(E)-3-phenylacryloyl]amino]octanoylamino]propanoyl]amino]succinic acid Formula: C25H35N3O7 MolecularWeight: 489.5613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCCCCCCNC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CCCCCCCNC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C25H35N3O7/c1-25(2,24(35)27-19(23(33)34)17-22(31)32)28-21(30)13-9-4-3-5-10-16-26-20(29)15-14-18-11-7-6-8-12-18/h6-8,11-12,14-15,19H,3-5,9-10,13,16-17H2,1-2H3,(H,26,29)(H,27,35)(H,28,30)(H,31,32)(H,33,34)/b15-14+/t19-/m0/s1