5-[[3-[(4-azanyl-4-azanylidene-butyl)carbamoyl]quinolin-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[(4-azanyl-4-azanylidene-butyl)carbamoyl]quinolin-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-[(4-amino-4-imino-butyl)carbamoyl]-4-quinolyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-[[(4-amino-4-iminobutyl)amino]-oxomethyl]-4-quinolinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-[(4-amino-4-iminobutyl)carbamoyl]quinolin-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-[(4-amino-4-imino-butyl)carbamoyl]-4-quinolyl]amino]-5-keto-valeric acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C(=O)NCCCC(=N)N)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C(=O)NCCCC(=N)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C19H23N5O4/c20-15(21)7-4-10-22-19(28)13-11-23-14-6-2-1-5-12(14)18(13)24-16(25)8-3-9-17(26)27/h1-2,5-6,11H,3-4,7-10H2,(H3,20,21)(H,22,28)(H,26,27)(H,23,24,25)