2,3-bis(azanyl)-3-(decan-2-ylsulfonylcarbamoyl)-2-(1-phenylethyl)hexanoic acid

Systemtic Name: 2,3-bis(azanyl)-3-(decan-2-ylsulfonylcarbamoyl)-2-(1-phenylethyl)hexanoic acid Openeye Name: 2,3-diamino-3-(1-methylnonylsulfonylcarbamoyl)-2-(1-phenylethyl)hexanoic acid CAS Name: 2,3-diamino-3-[(decan-2-ylsulfonylamino)-oxomethyl]-2-(1-phenylethyl)hexanoic acid IUPAC Name: 2,3-diamino-3-(decan-2-ylsulfonylcarbamoyl)-2-(1-phenylethyl)hexanoic acid Traditional Name: 2,3-diamino-3-(1-methylnonylsulfonylcarbamoyl)-2-(1-phenylethyl)hexanoic acid Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)S(=O)(=O)NC(=O)C(CCC)(C(C(C)C1=CC=CC=C1)(C(=O)O)N)N

Isomeric SMILES

CCCCCCCCC(C)S(=O)(=O)NC(=O)C(CCC)(C(C(C)C1=CC=CC=C1)(C(=O)O)N)N

InChI

InChI=1S/C25H43N3O5S/c1-5-7-8-9-10-12-15-19(3)34(32,33)28-22(29)24(26,18-6-2)25(27,23(30)31)20(4)21-16-13-11-14-17-21/h11,13-14,16-17,19-20H,5-10,12,15,18,26-27H2,1-4H3,(H,28,29)(H,30,31)