bis(azanyl)methylidene-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-piperidin-1-yl]-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxidanylidene-pentyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-piperidin-1-yl]-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxidanylidene-pentyl]azanium Openeye Name: [(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidyl]-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidinyl]-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [(4S)-5-[(2R,4R)-2-carboxy-4-methyl-piperidino]-5-keto-4-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentyl]-(diaminomethylene)ammonium Formula: C23H37N6O5S+ MolecularWeight: 509.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)O)C(=O)C(CCC[NH+]=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C

Isomeric SMILES

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCC[NH+]=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@@H](C3)C

InChI

InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/p+1/t14-,15-,17+,18-/m1/s1