2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[(3S)-1-[(2-carbamimidoyl-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide CAS Name: 2-[[(3S)-1-[(2-carbamimidoyl-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]-N-phenethylacetamide IUPAC Name: 2-[[(3S)-1-[(2-carbamimidoylpyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]-N-phenethylacetamide Traditional Name: 2-[[(3S)-1-[(2-amidino-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide Formula: C32H34N6O5S MolecularWeight: 614.71456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)C4CCN(C4=O)CC5=CC(=NC=C5)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)[C@H]4CCN(C4=O)CC5=CC(=NC=C5)C(=N)N

InChI

InChI=1S/C32H34N6O5S/c1-43-26-9-7-24-8-10-27(19-25(24)18-26)44(41,42)38(21-30(39)36-15-11-22-5-3-2-4-6-22)29-13-16-37(32(29)40)20-23-12-14-35-28(17-23)31(33)34/h2-10,12,14,17-19,29H,11,13,15-16,20-21H2,1H3,(H3,33,34)(H,36,39)/t29-/m0/s1