(2S)-4-azanyl-2-(azepan-1-ylsulfonylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-(azepan-1-ylsulfonylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-(azepan-1-ylsulfonylammonio)-4-oxo-butanoate CAS Name: (2S)-4-amino-2-(1-azepanylsulfonylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-(azepan-1-ylsulfonylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-amino-2-(azepan-1-ylsulfonylammonio)-4-keto-butyrate Formula: C10H19N3O5S MolecularWeight: 293.33996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH2+]C(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH2+][C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C10H19N3O5S/c11-9(14)7-8(10(15)16)12-19(17,18)13-5-3-1-2-4-6-13/h8,12H,1-7H2,(H2,11,14)(H,15,16)/t8-/m0/s1