methyl 4-[(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)amino]-4-oxidanylidene-butanoate hydrochloride

Systemtic Name: methyl 4-[(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)amino]-4-oxidanylidene-butanoate hydrochloride Openeye Name: methyl 4-[[2-amino-3-(1-propylbutylsulfonyl)propanoyl]amino]-4-oxo-butanoate hydrochloride CAS Name: 4-[(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)amino]-4-oxobutanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(2-amino-3-heptan-4-ylsulfonylpropanoyl)amino]-4-oxobutanoate hydrochloride Traditional Name: 4-[[2-amino-3-(1-propylbutylsulfonyl)propanoyl]amino]-4-keto-butyric acid methyl ester hydrochloride Formula: C15H29ClN2O6S MolecularWeight: 400.91856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N2O6S.ClH/c1-4-6-11(7-5-2)24(21,22)10-12(16)15(20)17-13(18)8-9-14(19)23-3;/h11-12H,4-10,16H2,1-3H3,(H,17,18,20);1H