(2S)-3-(1-butylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-(1-butylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-(1-butylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: (2S)-3-(1-butyl-3-indolyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-(1-butylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(1-butylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C25H28N2O5S/c1-3-5-15-27-18-19(22-9-7-8-10-24(22)27)17-23(25(28)29)26-33(30,31)21-13-11-20(12-14-21)32-16-6-4-2/h7-14,18,23,26H,3,5,15-17H2,1-2H3,(H,28,29)/t23-/m0/s1