(2S)-1-[(2S)-6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-thiophen-2-yl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-thiophen-2-yl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-amino-2-[[1-carboxy-3-(2-thienyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-6-amino-2-[(1-hydroxy-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-6-amino-2-[(1-hydroxy-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-amino-2-[[1-carboxy-3-(2-thienyl)propyl]amino]hexanoyl]proline Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CS2)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)NC(CCC2=CC=CS2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H29N3O5S/c20-10-2-1-6-14(17(23)22-11-3-7-16(22)19(26)27)21-15(18(24)25)9-8-13-5-4-12-28-13/h4-5,12,14-16,21H,1-3,6-11,20H2,(H,24,25)(H,26,27)/t14-,15?,16-/m0/s1