(2S)-2-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]piperidine-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-piperidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[1-[(2S)-2-acetamido-6-aminohexanoyl]piperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]isonipecotoyl]amino]succinic acid Formula: C18H30N4O7 MolecularWeight: 414.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C18H30N4O7/c1-11(23)20-13(4-2-3-7-19)17(27)22-8-5-12(6-9-22)16(26)21-14(18(28)29)10-15(24)25/h12-14H,2-10,19H2,1H3,(H,20,23)(H,21,26)(H,24,25)(H,28,29)/t13-,14-/m0/s1