(2S)-N-[1-(3-azanylpropylamino)-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide chloride

Systemtic Name: (2S)-N-[1-(3-azanylpropylamino)-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide chloride Openeye Name: (2S)-N-[2-(3-aminopropylamino)-1-benzyl-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide chloride CAS Name: (2S)-N-[1-(3-aminopropylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide chloride IUPAC Name: (2S)-N-[1-(3-aminopropylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide chloride Traditional Name: (2S)-N-[2-(3-aminopropylamino)-1-benzyl-2-keto-1-methyl-ethyl]pyrrolidine-2-carboxamide chloride Formula: C18H28ClN4O2- MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NCCCN)NC(=O)C2CCCN2.[Cl-]

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NCCCN)NC(=O)[C@@H]2CCCN2.[Cl-]

InChI

InChI=1S/C18H28N4O2.ClH/c1-18(17(24)21-12-6-10-19,13-14-7-3-2-4-8-14)22-16(23)15-9-5-11-20-15;/h2-4,7-8,15,20H,5-6,9-13,19H2,1H3,(H,21,24)(H,22,23);1H/p-1/t15-,18?;/m0./s1