(2S)-3-[(2-aminophenyl)amino]-2-azanyl-propanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-3-[(2-aminophenyl)amino]-2-azanyl-propanoic acid; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-3-(2-aminoanilino)propanoic acid; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-(2-aminoanilino)propanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-3-(2-aminoanilino)propanoic acid; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-3-(2-aminoanilino)propionic acid; tosylic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)N)NCC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2.C7H8O3S/c10-6-3-1-2-4-8(6)12-5-7(11)9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,7,12H,5,10-11H2,(H,13,14);2-5H,1H3,(H,8,9,10)/t7-;/m0./s1