(2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-5-(ethylamino)-5-oxo-pentanoic acid; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-5-(ethylamino)-5-keto-valeric acid; tosylic acid Formula: C14H22N2O6S MolecularWeight: 346.39928

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCC(C(=O)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)CC[C@@H](C(=O)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H14N2O3.C7H8O3S/c1-2-9-6(10)4-3-5(8)7(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);2-5H,1H3,(H,8,9,10)/t5-;/m0./s1