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(6S)-2-oxidanylidene-6-[[(E)-3-phenylprop-2-enoyl]amino]heptanedioic acid
(6S)-2-oxidanylidene-6-[[(E)-3-phenylprop-2-enoyl]amino]heptanedioic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)C=CC(=O)NC(CCCC(=O)C(=O)O)C(=O)O
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C16H17NO6/c18-13(16(22)23)8-4-7-12(15(20)21)17-14(19)10-9-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H,17,19)(H,20,21)(H,22,23)/b10-9+/t12-/m0/s1
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