(2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(5-methyl-1H-indol-3-yl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-16-11-12-21-20(13-16)17(15-26-21)14-22(25(29)30)27-24(28)19-9-5-6-10-23(19)31-18-7-3-2-4-8-18/h2-13,15,22,26H,14H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1