2-[[6-azanyl-1-[2-(carboxymethyl)-1,3-thiazolidin-2-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-1-[2-(carboxymethyl)-1,3-thiazolidin-2-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[5-amino-1-[2-(carboxymethyl)thiazolidine-2-carbonyl]pentyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[6-amino-1-[2-(carboxymethyl)-2-thiazolidinyl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[6-amino-1-[2-(carboxymethyl)-1,3-thiazolidin-2-yl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[5-amino-1-[2-(carboxymethyl)thiazolidine-2-carbonyl]pentyl]amino]-4-phenyl-butyric acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1)(CC(=O)O)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSC(N1)(CC(=O)O)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H31N3O5S/c22-11-5-4-8-16(19(27)21(14-18(25)26)23-12-13-30-21)24-17(20(28)29)10-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,23-24H,4-5,8-14,22H2,(H,25,26)(H,28,29)