[6-[[2-[(2S,5R)-2-carboxy-5-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-6-oxidanylidene-5-sulfanyl-hexyl]azanium

Systemtic Name: [6-[[2-[(2S,5R)-2-carboxy-5-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-6-oxidanylidene-5-sulfanyl-hexyl]azanium Openeye Name: [6-[[2-[(2S,5R)-2-carboxy-5-phenyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-6-oxo-5-sulfanyl-hexyl]ammonium CAS Name: [6-[[2-[(2S,5R)-2-carboxy-5-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-5-mercapto-6-oxohexyl]ammonium IUPAC Name: [6-[[2-[(2S,5R)-2-carboxy-5-phenylpyrrolidin-1-yl]-2-oxoethyl]amino]-6-oxo-5-sulfanylhexyl]azanium Traditional Name: [6-[[2-[(2S,5R)-2-carboxy-5-phenyl-pyrrolidino]-2-keto-ethyl]amino]-6-keto-5-mercapto-hexyl]ammonium Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CCCC[NH3+])S)C(=O)O

Isomeric SMILES

C1C[C@H](N([C@H]1C2=CC=CC=C2)C(=O)CNC(=O)C(CCCC[NH3+])S)C(=O)O

InChI

InChI=1S/C19H27N3O4S/c20-11-5-4-8-16(27)18(24)21-12-17(23)22-14(9-10-15(22)19(25)26)13-6-2-1-3-7-13/h1-3,6-7,14-16,27H,4-5,8-12,20H2,(H,21,24)(H,25,26)/p+1/t14-,15+,16?/m1/s1