2-[[(2S)-4-azanyl-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonyl-amino]-4-oxidanylidene-butanoyl]-cyclopropyl-amino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-azanyl-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonyl-amino]-4-oxidanylidene-butanoyl]-cyclopropyl-amino]ethanoic acid Openeye Name: 2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoyl-3-piperidyl]methyl-(2-naphthylsulfonyl)amino]-4-oxo-butanoyl]-cyclopropyl-amino]acetic acid CAS Name: 2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoyl-3-piperidinyl]methyl-(2-naphthalenylsulfonyl)amino]-1,4-dioxobutyl]-cyclopropylamino]acetic acid IUPAC Name: 2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid Traditional Name: 2-[[(2S)-2-[[(3S)-1-amidino-3-piperidyl]methyl-(2-naphthylsulfonyl)amino]-4-amino-4-keto-butanoyl]-cyclopropyl-amino]acetic acid Formula: C26H34N6O6S MolecularWeight: 558.64976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CN(C(CC(=O)N)C(=O)N(CC(=O)O)C2CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=N)N)CN([C@@H](CC(=O)N)C(=O)N(CC(=O)O)C2CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H34N6O6S/c27-23(33)13-22(25(36)31(16-24(34)35)20-8-9-20)32(15-17-4-3-11-30(14-17)26(28)29)39(37,38)21-10-7-18-5-1-2-6-19(18)12-21/h1-2,5-7,10,12,17,20,22H,3-4,8-9,11,13-16H2,(H2,27,33)(H3,28,29)(H,34,35)/t17-,22-/m0/s1