2-[3-[1-azanyl-1-azanylidene-3-oxidanylidene-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-butylsulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-azanyl-1-azanylidene-3-oxidanylidene-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-butylsulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-butylsulfonyl-3-[1-carbamimidoyl-2-oxo-2-(3-piperidylmethylamino)ethyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-[1-amino-1-imino-3-oxo-3-(3-piperidinylmethylamino)propan-2-yl]-4-butylsulfonyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-[1-amino-1-imino-3-oxo-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-butylsulfonyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-[1-amidino-2-keto-2-(3-piperidylmethylamino)ethyl]-4-butylsulfonyl-2-keto-piperazino]acetic acid Formula: C19H34N6O6S MolecularWeight: 474.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCN(C(=O)C1C(C(=N)N)C(=O)NCC2CCCNC2)CC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N1CCN(C(=O)C1C(C(=N)N)C(=O)NCC2CCCNC2)CC(=O)O

InChI

InChI=1S/C19H34N6O6S/c1-2-3-9-32(30,31)25-8-7-24(12-14(26)27)19(29)16(25)15(17(20)21)18(28)23-11-13-5-4-6-22-10-13/h13,15-16,22H,2-12H2,1H3,(H3,20,21)(H,23,28)(H,26,27)