(2R)-3-(1H-indol-3-yl)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]propanoate Openeye Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-3-(1H-indol-3-yl)propionate Formula: C21H19N2O4S- MolecularWeight: 395.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])O

InChI

InChI=1S/C21H20N2O4S/c1-21(2,27)10-9-14-7-8-18(28-14)19(24)23-17(20(25)26)11-13-12-22-16-6-4-3-5-15(13)16/h3-8,12,17,22,27H,11H2,1-2H3,(H,23,24)(H,25,26)/p-1/t17-/m1/s1