2-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 2-[[(1S)-5-amino-1-carboxy-pentyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 2-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 2-[[(1S)-5-amino-1-carboxy-pentyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C(C=C2C=C1Cl)C(=O)O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC2=NC(=C(C=C2C=C1Cl)C(=O)O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C16H18ClN3O4/c17-10-4-5-12-9(7-10)8-11(15(21)22)14(19-12)20-13(16(23)24)3-1-2-6-18/h4-5,7-8,13H,1-3,6,18H2,(H,19,20)(H,21,22)(H,23,24)/t13-/m0/s1