1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C25H40N4O3+2 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C25H38N4O3/c1-20(30)23(18-21-8-3-2-4-9-21)27-24(31)19-29-16-10-22(11-17-29)25(32)26-12-7-15-28-13-5-6-14-28/h2-4,8-9,22-23H,5-7,10-19H2,1H3,(H,26,32)(H,27,31)/p+2/t23-/m0/s1