(2S)-3-(1H-indol-3-yl)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-2-oxo-chromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-chromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H18N2O6/c25-14-5-6-16-12(9-21(27)30-19(16)10-14)8-20(26)24-18(22(28)29)7-13-11-23-17-4-2-1-3-15(13)17/h1-6,9-11,18,23,25H,7-8H2,(H,24,26)(H,28,29)/t18-/m0/s1