(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]propionate Formula: C22H18N3O3S- MolecularWeight: 404.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-13-19(29-21(24-13)14-7-3-2-4-8-14)20(26)25-18(22(27)28)11-15-12-23-17-10-6-5-9-16(15)17/h2-10,12,18,23H,11H2,1H3,(H,25,26)(H,27,28)/p-1/t18-/m0/s1