4-[[4-[(4-azanyl-4-azanylidene-butanoyl)amino]quinolin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[4-[(4-azanyl-4-azanylidene-butanoyl)amino]quinolin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[4-[(4-amino-4-imino-butanoyl)amino]quinoline-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[4-[(4-amino-4-imino-1-oxobutyl)amino]-3-quinolinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-[(4-amino-4-iminobutanoyl)amino]quinoline-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[4-[(4-amino-4-imino-butanoyl)amino]quinoline-3-carbonyl]amino]butyric acid Formula: C18H21N5O4 MolecularWeight: 371.39044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c19-14(20)7-8-15(24)23-17-11-4-1-2-5-13(11)22-10-12(17)18(27)21-9-3-6-16(25)26/h1-2,4-5,10H,3,6-9H2,(H3,19,20)(H,21,27)(H,25,26)(H,22,23,24)