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

Systemtic Name: (2S)-2-[2-[1-(6-azanylhexanoyl)piperidin-4-yl]ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-[1-(6-aminohexanoyl)-4-piperidyl]acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-[1-(6-amino-1-oxohexyl)-4-piperidinyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-[1-(6-aminohexanoyl)piperidin-4-yl]acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-[1-(6-aminohexanoyl)-4-piperidyl]acetyl]amino]succinic acid Formula: C17H29N3O6 MolecularWeight: 371.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NC(CC(=O)O)C(=O)O)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCC1CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CCCCCN

InChI

InChI=1S/C17H29N3O6/c18-7-3-1-2-4-15(22)20-8-5-12(6-9-20)10-14(21)19-13(17(25)26)11-16(23)24/h12-13H,1-11,18H2,(H,19,21)(H,23,24)(H,25,26)/t13-/m0/s1