2-acetamido-3-[3-[2-(thiophen-2-ylamino)propanoyl]-1,2-dihydroindol-3-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-[2-(thiophen-2-ylamino)propanoyl]-1,2-dihydroindol-3-yl]propanoic acid Openeye Name: 2-acetamido-3-[3-[2-(2-thienylamino)propanoyl]indolin-3-yl]propanoic acid CAS Name: 2-acetamido-3-[3-[1-oxo-2-(thiophen-2-ylamino)propyl]-1,2-dihydroindol-3-yl]propanoic acid IUPAC Name: 2-acetamido-3-[3-[2-(thiophen-2-ylamino)propanoyl]-1,2-dihydroindol-3-yl]propanoic acid Traditional Name: 2-acetamido-3-[3-[2-(2-thienylamino)propanoyl]indolin-3-yl]propionic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(CNC2=CC=CC=C21)CC(C(=O)O)NC(=O)C)NC3=CC=CS3

Isomeric SMILES

CC(C(=O)C1(CNC2=CC=CC=C21)CC(C(=O)O)NC(=O)C)NC3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-12(22-17-8-5-9-28-17)18(25)20(10-16(19(26)27)23-13(2)24)11-21-15-7-4-3-6-14(15)20/h3-9,12,16,21-22H,10-11H2,1-2H3,(H,23,24)(H,26,27)