2-azanyl-6-[(2-carbamimidoylpiperidin-3-yl)methylamino]-4-(naphthalen-2-ylsulfonylamino)-3,6-bis(oxidanylidene)-2-propyl-hexanoic acid

Systemtic Name: 2-azanyl-6-[(2-carbamimidoylpiperidin-3-yl)methylamino]-4-(naphthalen-2-ylsulfonylamino)-3,6-bis(oxidanylidene)-2-propyl-hexanoic acid Openeye Name: 2-amino-6-[(2-carbamimidoyl-3-piperidyl)methylamino]-4-(2-naphthylsulfonylamino)-3,6-dioxo-2-propyl-hexanoic acid CAS Name: 2-amino-6-[(2-carbamimidoyl-3-piperidinyl)methylamino]-4-(2-naphthalenylsulfonylamino)-3,6-dioxo-2-propylhexanoic acid IUPAC Name: 2-amino-6-[(2-carbamimidoylpiperidin-3-yl)methylamino]-4-(naphthalen-2-ylsulfonylamino)-3,6-dioxo-2-propylhexanoic acid Traditional Name: 6-[(2-amidino-3-piperidyl)methylamino]-2-amino-3,6-diketo-4-(2-naphthylsulfonylamino)-2-propyl-hexanoic acid Formula: C26H36N6O6S MolecularWeight: 560.66564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(CC(=O)NCC1CCCNC1C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(C(=O)O)N

Isomeric SMILES

CCCC(C(=O)C(CC(=O)NCC1CCCNC1C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(C(=O)O)N

InChI

InChI=1S/C26H36N6O6S/c1-2-11-26(29,25(35)36)23(34)20(14-21(33)31-15-18-8-5-12-30-22(18)24(27)28)32-39(37,38)19-10-9-16-6-3-4-7-17(16)13-19/h3-4,6-7,9-10,13,18,20,22,30,32H,2,5,8,11-12,14-15,29H2,1H3,(H3,27,28)(H,31,33)(H,35,36)