2-[[[(3R)-3-azanyl-5-oxidanyl-6-piperazin-1-yl-hexanoyl]amino]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[[(3R)-3-azanyl-5-oxidanyl-6-piperazin-1-yl-hexanoyl]amino]-methyl-amino]ethanoic acid Openeye Name: 2-[[[(3R)-3-amino-5-hydroxy-6-piperazin-1-yl-hexanoyl]amino]-methyl-amino]acetic acid CAS Name: 2-[[[(3R)-3-amino-5-hydroxy-1-oxo-6-(1-piperazinyl)hexyl]amino]-methylamino]acetic acid IUPAC Name: 2-[[[(3R)-3-amino-5-hydroxy-6-piperazin-1-ylhexanoyl]amino]-methylamino]acetic acid Traditional Name: 2-[[[(3R)-3-amino-5-hydroxy-6-piperazino-hexanoyl]amino]-methyl-amino]acetic acid Formula: C13H27N5O4 MolecularWeight: 317.38458

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)NC(=O)CC(CC(CN1CCNCC1)O)N

Isomeric SMILES

CN(CC(=O)O)NC(=O)C[C@@H](CC(CN1CCNCC1)O)N

InChI

InChI=1S/C13H27N5O4/c1-17(9-13(21)22)16-12(20)7-10(14)6-11(19)8-18-4-2-15-3-5-18/h10-11,15,19H,2-9,14H2,1H3,(H,16,20)(H,21,22)/t10-,11?/m1/s1