3-[[(2S)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propanoyl]amino]propionic acid Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H20N2O7/c1-10-7-17(24)27-14-8-12(3-4-13(10)14)26-9-15(21)20-11(2)18(25)19-6-5-16(22)23/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,25)(H,20,21)(H,22,23)/t11-/m0/s1