2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-propan-2-yl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-propan-2-yl-amino]ethanoic acid Openeye Name: 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-isopropyl-amino]acetic acid CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-propan-2-ylamino]acetic acid IUPAC Name: 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-propan-2-ylamino]acetic acid Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-isopropyl-amino]acetic acid Formula: C26H36N6O6S MolecularWeight: 560.66564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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