methyl (2R)-2-[[(2S)-1-piperidin-1-ium-4-ylcarbonyl-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-piperidin-1-ium-4-ylcarbonyl-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(isopropylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2S)-1-[oxo(4-piperidin-1-iumyl)methyl]-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(piperidin-1-ium-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-(isopropylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C19H34N5O5+ MolecularWeight: 412.50376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(C)C(=O)OC)C(=O)C2CC[NH2+]CC2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)NC(C)C

InChI

InChI=1S/C19H33N5O5/c1-12(2)21-19(28)23-9-10-24(17(26)14-5-7-20-8-6-14)15(11-23)16(25)22-13(3)18(27)29-4/h12-15,20H,5-11H2,1-4H3,(H,21,28)(H,22,25)/p+1/t13-,15+/m1/s1