2-(2-azanylpropanoylamino)-3-(4H-imidazol-4-yl)-2-octylsulfonyl-propanoic acid

Systemtic Name: 2-(2-azanylpropanoylamino)-3-(4H-imidazol-4-yl)-2-octylsulfonyl-propanoic acid Openeye Name: 2-(2-aminopropanoylamino)-3-(4H-imidazol-4-yl)-2-octylsulfonyl-propanoic acid CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-(4H-imidazol-4-yl)-2-octylsulfonylpropanoic acid IUPAC Name: 2-(2-aminopropanoylamino)-3-(4H-imidazol-4-yl)-2-octylsulfonylpropanoic acid Traditional Name: 2-(alanylamino)-3-(4H-imidazol-4-yl)-2-octylsulfonyl-propionic acid Formula: C17H30N4O5S MolecularWeight: 402.5089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(CC1C=NC=N1)(C(=O)O)NC(=O)C(C)N

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(CC1C=NC=N1)(C(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C17H30N4O5S/c1-3-4-5-6-7-8-9-27(25,26)17(16(23)24,21-15(22)13(2)18)10-14-11-19-12-20-14/h11-14H,3-10,18H2,1-2H3,(H,21,22)(H,23,24)