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

Systemtic Name: 2,3-bis(azanyl)-3-(decan-2-ylsulfonylcarbamoyl)-2-(3-phenylpropyl)hexanoic acid Openeye Name: 2,3-diamino-3-(1-methylnonylsulfonylcarbamoyl)-2-(3-phenylpropyl)hexanoic acid CAS Name: 2,3-diamino-3-[(decan-2-ylsulfonylamino)-oxomethyl]-2-(3-phenylpropyl)hexanoic acid IUPAC Name: 2,3-diamino-3-(decan-2-ylsulfonylcarbamoyl)-2-(3-phenylpropyl)hexanoic acid Traditional Name: 2,3-diamino-3-(1-methylnonylsulfonylcarbamoyl)-2-(3-phenylpropyl)hexanoic acid Formula: C26H45N3O5S MolecularWeight: 511.7176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)S(=O)(=O)NC(=O)C(CCC)(C(CCCC1=CC=CC=C1)(C(=O)O)N)N

Isomeric SMILES

CCCCCCCCC(C)S(=O)(=O)NC(=O)C(CCC)(C(CCCC1=CC=CC=C1)(C(=O)O)N)N

InChI

InChI=1S/C26H45N3O5S/c1-4-6-7-8-9-11-15-21(3)35(33,34)29-23(30)25(27,19-5-2)26(28,24(31)32)20-14-18-22-16-12-10-13-17-22/h10,12-13,16-17,21H,4-9,11,14-15,18-20,27-28H2,1-3H3,(H,29,30)(H,31,32)