(2S)-2-[ethyl-[1-(phenylsulfonyl)indol-3-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[ethyl-[1-(phenylsulfonyl)indol-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)indol-3-yl]-ethyl-amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[1-(benzenesulfonyl)-3-indolyl]-ethylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)indol-3-yl]-ethylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1-besylindol-3-yl)-ethyl-amino]-3-phenyl-propionic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24N2O4S/c1-2-26(23(25(28)29)17-19-11-5-3-6-12-19)24-18-27(22-16-10-9-15-21(22)24)32(30,31)20-13-7-4-8-14-20/h3-16,18,23H,2,17H2,1H3,(H,28,29)/t23-/m0/s1