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

Systemtic Name: 4-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-ylcarbonylamino)butanoyl]amino]butanoate Openeye Name: 4-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]butanoate CAS Name: 4-[[(3R)-3-(4-chlorophenyl)-1-oxo-4-[[oxo(4-piperidin-1-iumyl)methyl]amino]butyl]amino]butanoate IUPAC Name: 4-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]butanoate Traditional Name: 4-[[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]amino]butyrate Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O4/c21-17-5-3-14(4-6-17)16(12-18(25)23-9-1-2-19(26)27)13-24-20(28)15-7-10-22-11-8-15/h3-6,15-16,22H,1-2,7-13H2,(H,23,25)(H,24,28)(H,26,27)/t16-/m0/s1