1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-2-(3-methylquinolin-8-yl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-4-methyl-2-(3-methylquinolin-8-yl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-(2-amino-5-guanidino-pentanoyl)-4-methyl-2-[(3-methyl-8-quinolyl)sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-4-methyl-2-[(3-methyl-8-quinolinyl)sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-4-methyl-2-(3-methylquinolin-8-yl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(2-amino-5-guanidino-pentanoyl)-4-methyl-2-[(3-methyl-8-quinolyl)sulfonyl]pipecolinic acid Formula: C23H32N6O5S MolecularWeight: 504.60238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C23H32N6O5S/c1-14-8-10-29(20(30)17(24)6-4-9-27-22(25)26)23(12-14,21(31)32)35(33,34)18-7-3-5-16-11-15(2)13-28-19(16)18/h3,5,7,11,13-14,17H,4,6,8-10,12,24H2,1-2H3,(H,31,32)(H4,25,26,27)