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

Systemtic Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide CAS Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-[(7-methoxy-2-naphthalenyl)sulfonyl]amino]-N-phenethylacetamide IUPAC Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]-N-phenethylacetamide Traditional Name: 2-[[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-[(7-methoxy-2-naphthyl)sulfonyl]amino]-N-phenethyl-acetamide Formula: C33H35N5O5S MolecularWeight: 613.7265

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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=CC(=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=CC(=C5)C(=N)N

InChI

InChI=1S/C33H35N5O5S/c1-43-28-12-10-25-11-13-29(20-27(25)19-28)44(41,42)38(22-31(39)36-16-14-23-6-3-2-4-7-23)30-15-17-37(33(30)40)21-24-8-5-9-26(18-24)32(34)35/h2-13,18-20,30H,14-17,21-22H2,1H3,(H3,34,35)(H,36,39)/t30-/m0/s1