2-[2-[[8-[(1-carbamimidoylpiperidin-3-yl)methylamino]-6-(naphthalen-2-ylsulfonylamino)-5,8-bis(oxidanylidene)octan-4-yl]amino]ethylamino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[[8-[(1-carbamimidoylpiperidin-3-yl)methylamino]-6-(naphthalen-2-ylsulfonylamino)-5,8-bis(oxidanylidene)octan-4-yl]amino]ethylamino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[[5-[(1-carbamimidoyl-3-piperidyl)methylamino]-3-(2-naphthylsulfonylamino)-2,5-dioxo-1-propyl-pentyl]amino]ethylamino]-2-oxo-acetic acid CAS Name: 2-[2-[[8-[(1-carbamimidoyl-3-piperidinyl)methylamino]-6-(2-naphthalenylsulfonylamino)-5,8-dioxooctan-4-yl]amino]ethylamino]-2-oxoacetic acid IUPAC Name: 2-[2-[[8-[(1-carbamimidoylpiperidin-3-yl)methylamino]-6-(naphthalen-2-ylsulfonylamino)-5,8-dioxooctan-4-yl]amino]ethylamino]-2-oxoacetic acid Traditional Name: 2-[2-[[5-[(1-amidino-3-piperidyl)methylamino]-2,5-diketo-3-(2-naphthylsulfonylamino)-1-propyl-pentyl]amino]ethylamino]-2-keto-acetic acid Formula: C29H41N7O7S MolecularWeight: 631.74354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NCCNC(=O)C(=O)O

Isomeric SMILES

CCCC(C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NCCNC(=O)C(=O)O

InChI

InChI=1S/C29H41N7O7S/c1-2-6-23(32-12-13-33-27(39)28(40)41)26(38)24(16-25(37)34-17-19-7-5-14-36(18-19)29(30)31)35-44(42,43)22-11-10-20-8-3-4-9-21(20)15-22/h3-4,8-11,15,19,23-24,32,35H,2,5-7,12-14,16-18H2,1H3,(H3,30,31)(H,33,39)(H,34,37)(H,40,41)