[(2S)-4-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [(2S)-4-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [(1S)-3-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxycarbonyl-propyl]ammonium chloride CAS Name: [(2S)-4-[[(3-ethoxycarbonylanilino)-oxomethyl]amino]-1-methoxy-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [(2S)-4-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxobutan-2-yl]azanium chloride Traditional Name: [(1S)-3-[(3-carbethoxyphenyl)carbamoylamino]-1-carbomethoxy-propyl]ammonium chloride Formula: C15H22ClN3O5 MolecularWeight: 359.80528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCC(C(=O)OC)[NH3+].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC[C@@H](C(=O)OC)[NH3+].[Cl-]

InChI

InChI=1S/C15H21N3O5.ClH/c1-3-23-13(19)10-5-4-6-11(9-10)18-15(21)17-8-7-12(16)14(20)22-2;/h4-6,9,12H,3,7-8,16H2,1-2H3,(H2,17,18,21);1H/t12-;/m0./s1