(2R)-6-azanyl-2-[[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylamino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylamino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[[9-(mercaptomethyl)-10-oxo-2-azecanyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[10-keto-9-(mercaptomethyl)azecane-2-carbonyl]amino]hexanoic acid Formula: C17H31N3O4S MolecularWeight: 373.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(NC(=O)C(CC1)CS)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1CCCC(NC(=O)C(CC1)CS)C(=O)N[C@H](CCCCN)C(=O)O

InChI

InChI=1S/C17H31N3O4S/c18-10-6-5-9-14(17(23)24)20-16(22)13-8-4-2-1-3-7-12(11-25)15(21)19-13/h12-14,25H,1-11,18H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13?,14-/m1/s1