5-azanyl-2-(phenylmethoxycarbonylamino)pentanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 5-azanyl-2-(phenylmethoxycarbonylamino)pentanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 5-amino-2-(benzyloxycarbonylamino)pentanoic acid; 4-methylbenzenesulfonic acid CAS Name: 5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 5-amino-2-(benzyloxycarbonylamino)valeric acid; tosylic acid Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NC(CCCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NC(CCCN)C(=O)O

InChI

InChI=1S/C13H18N2O4.C7H8O3S/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17);2-5H,1H3,(H,8,9,10)