6-[(3R,4S)-4-[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-3-methoxy-piperidin-1-yl]hexanoic acid

Systemtic Name: 6-[(3R,4S)-4-[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-3-methoxy-piperidin-1-yl]hexanoic acid Openeye Name: 6-[(3R,4S)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxy-1-piperidyl]hexanoic acid CAS Name: 6-[(3R,4S)-4-[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]hexanoic acid IUPAC Name: 6-[(3R,4S)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]hexanoic acid Traditional Name: 6-[(3R,4S)-4-[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]-3-methoxy-piperidino]hexanoic acid Formula: C18H27ClN4O5 MolecularWeight: 414.88378

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(NC2=O)N)Cl)CCCCCC(=O)O

Isomeric SMILES

CO[C@@H]1CN(CC[C@@H]1NC(=O)C2=CC(=C(NC2=O)N)Cl)CCCCCC(=O)O

InChI

InChI=1S/C18H27ClN4O5/c1-28-14-10-23(7-4-2-3-5-15(24)25)8-6-13(14)21-17(26)11-9-12(19)16(20)22-18(11)27/h9,13-14H,2-8,10H2,1H3,(H,21,26)(H,24,25)(H3,20,22,27)/t13-,14+/m0/s1