(2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=C(C=C3)O)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=C2C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H20N2O6S/c1-2-3-10-29-16-5-7-17(8-6-16)30(27,28)23-20(21(25)26)11-14-13-22-19-9-4-15(24)12-18(14)19/h4-9,12-13,20,22-24H,10-11H2,1H3,(H,25,26)/t20-/m0/s1