4-[(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)amino]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 4-[(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)amino]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-[[2-amino-3-(1-propylbutylsulfonyl)propanoyl]amino]-4-oxo-butanoic acid hydrochloride CAS Name: 4-[(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)amino]-4-oxobutanoic acid hydrochloride IUPAC Name: 4-[(2-amino-3-heptan-4-ylsulfonylpropanoyl)amino]-4-oxobutanoic acid hydrochloride Traditional Name: 4-[[2-amino-3-(1-propylbutylsulfonyl)propanoyl]amino]-4-keto-butyric acid hydrochloride Formula: C14H27ClN2O6S MolecularWeight: 386.89198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)CCC(=O)O)N.Cl

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)CCC(=O)O)N.Cl

InChI

InChI=1S/C14H26N2O6S.ClH/c1-3-5-10(6-4-2)23(21,22)9-11(15)14(20)16-12(17)7-8-13(18)19;/h10-11H,3-9,15H2,1-2H3,(H,18,19)(H,16,17,20);1H