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2-[2,6-bis(azanyl)hexanoylamino]-2-(4-methylphenyl)sulfonyl-ethanoic acid

2-[2,6-bis(azanyl)hexanoylamino]-2-(4-methylphenyl)sulfonyl-ethanoic acid

Systemtic Name:2-[2,6-bis(azanyl)hexanoylamino]-2-(4-methylphenyl)sulfonyl-ethanoic acid
Openeye Name:2-(2,6-diaminohexanoylamino)-2-(p-tolylsulfonyl)acetic acid
CAS Name:2-[(2,6-diamino-1-oxohexyl)amino]-2-(4-methylphenyl)sulfonylacetic acid
IUPAC Name:2-(2,6-diaminohexanoylamino)-2-(4-methylphenyl)sulfonylacetic acid
Traditional Name:2-(2,6-diaminohexanoylamino)-2-tosyl-acetic acid
Formula: C15H23N3O5S
MolecularWeight: 357.42522
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)O)NC(=O)C(CCCCN)N


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)O)NC(=O)C(CCCCN)N


InChI

InChI=1S/C15H23N3O5S/c1-10-5-7-11(8-6-10)24(22,23)14(15(20)21)18-13(19)12(17)4-2-3-9-16/h5-8,12,14H,2-4,9,16-17H2,1H3,(H,18,19)(H,20,21)


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