(2R)-2-azanyl-3-oxidanylidene-3-[4-(2-propylpentanoylamino)butylamino]propane-1-sulfonic acid hydrochloride

Systemtic Name: (2R)-2-azanyl-3-oxidanylidene-3-[4-(2-propylpentanoylamino)butylamino]propane-1-sulfonic acid hydrochloride Openeye Name: (2R)-2-amino-3-oxo-3-[4-(2-propylpentanoylamino)butylamino]propane-1-sulfonic acid hydrochloride CAS Name: (2R)-2-amino-3-oxo-3-[4-[(1-oxo-2-propylpentyl)amino]butylamino]-1-propanesulfonic acid hydrochloride IUPAC Name: (2R)-2-amino-3-oxo-3-[4-(2-propylpentanoylamino)butylamino]propane-1-sulfonic acid hydrochloride Traditional Name: (2R)-2-amino-3-keto-3-[4-(2-propylpentanoylamino)butylamino]propane-1-sulfonic acid hydrochloride Formula: C15H32ClN3O5S MolecularWeight: 401.94968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCCCNC(=O)C(CS(=O)(=O)O)N.Cl

Isomeric SMILES

CCCC(CCC)C(=O)NCCCCNC(=O)[C@H](CS(=O)(=O)O)N.Cl

InChI

InChI=1S/C15H31N3O5S.ClH/c1-3-7-12(8-4-2)14(19)17-9-5-6-10-18-15(20)13(16)11-24(21,22)23;/h12-13H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22,23);1H/t13-;/m0./s1