(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(7-methoxy-2-oxidanyl-3,4-dihydro-1H-naphthalen-2-yl)carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(7-methoxy-2-oxidanyl-3,4-dihydro-1H-naphthalen-2-yl)carbonyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-7-methoxy-tetralin-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-(2-hydroxy-7-methoxy-tetralin-2-carbonyl)pyrrolidine-2-carboxamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(C2)(C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC(C2)(C(=O)N3CCC[C@H]3C(=O)NCC4=CC=C(C=C4)C(=N)N)O)C=C1

InChI

InChI=1S/C25H30N4O4/c1-33-20-9-8-17-10-11-25(32,14-19(17)13-20)24(31)29-12-2-3-21(29)23(30)28-15-16-4-6-18(7-5-16)22(26)27/h4-9,13,21,32H,2-3,10-12,14-15H2,1H3,(H3,26,27)(H,28,30)/t21-,25?/m0/s1