3-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-ylcarbonylamino)butanoyl]amino]propanoate

Systemtic Name: 3-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-ylcarbonylamino)butanoyl]amino]propanoate Openeye Name: 3-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]propanoate CAS Name: 3-[[(3R)-3-(4-chlorophenyl)-1-oxo-4-[[oxo(4-piperidin-1-iumyl)methyl]amino]butyl]amino]propanoate IUPAC Name: 3-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]propanoate Traditional Name: 3-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]propionate Formula: C19H26ClN3O4 MolecularWeight: 395.88044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NCC(CC(=O)NCCC(=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH2+]CCC1C(=O)NC[C@H](CC(=O)NCCC(=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN3O4/c20-16-3-1-13(2-4-16)15(11-17(24)22-10-7-18(25)26)12-23-19(27)14-5-8-21-9-6-14/h1-4,14-15,21H,5-12H2,(H,22,24)(H,23,27)(H,25,26)/t15-/m0/s1