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

Systemtic Name: (2S)-2-[[1-(6-azanylhexanoyl)piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[1-(6-aminohexanoyl)piperidine-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[1-(6-amino-1-oxohexyl)-4-piperidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[1-(6-aminohexanoyl)piperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[1-(6-aminohexanoyl)isonipecotoyl]amino]succinic acid Formula: C16H27N3O6 MolecularWeight: 357.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C(=O)O)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CCCCCN

InChI

InChI=1S/C16H27N3O6/c17-7-3-1-2-4-13(20)19-8-5-11(6-9-19)15(23)18-12(16(24)25)10-14(21)22/h11-12H,1-10,17H2,(H,18,23)(H,21,22)(H,24,25)/t12-/m0/s1