2-[[[(3R,5R)-3-azanyl-5-oxidanyl-6-(phenethylamino)hexanoyl]amino]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[[(3R,5R)-3-azanyl-5-oxidanyl-6-(phenethylamino)hexanoyl]amino]-methyl-amino]ethanoic acid Openeye Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(phenethylamino)hexanoyl]amino]-methyl-amino]acetic acid CAS Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-1-oxo-6-(phenethylamino)hexyl]amino]-methylamino]acetic acid IUPAC Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(phenethylamino)hexanoyl]amino]-methylamino]acetic acid Traditional Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(phenethylamino)hexanoyl]amino]-methyl-amino]acetic acid Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)NC(=O)CC(CC(CNCCC1=CC=CC=C1)O)N

Isomeric SMILES

CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCC1=CC=CC=C1)O)N

InChI

InChI=1S/C17H28N4O4/c1-21(12-17(24)25)20-16(23)10-14(18)9-15(22)11-19-8-7-13-5-3-2-4-6-13/h2-6,14-15,19,22H,7-12,18H2,1H3,(H,20,23)(H,24,25)/t14-,15-/m1/s1