(2S)-2-[[1-(6-azanylhexanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[1-(6-azanylhexanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[1-(6-aminohexanoyl)-4-phenyl-piperidine-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[1-(6-amino-1-oxohexyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[1-(6-aminohexanoyl)-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[1-(6-aminohexanoyl)-4-phenyl-isonipecotoyl]amino]succinic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CCCCCN

InChI

InChI=1S/C22H31N3O6/c23-12-6-2-5-9-18(26)25-13-10-22(11-14-25,16-7-3-1-4-8-16)21(31)24-17(20(29)30)15-19(27)28/h1,3-4,7-8,17H,2,5-6,9-15,23H2,(H,24,31)(H,27,28)(H,29,30)/t17-/m0/s1