(2S)-1-[4-[2-(5-carbamimidoyl-2-phenylmethoxy-phenyl)ethanoylamino]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[2-(5-carbamimidoyl-2-phenylmethoxy-phenyl)ethanoylamino]-2-methyl-phenyl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[[2-(2-benzyloxy-5-carbamimidoyl-phenyl)acetyl]amino]-2-methyl-benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[4-[[2-(5-carbamimidoyl-2-phenylmethoxyphenyl)-1-oxoethyl]amino]-2-methylphenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[[2-(5-carbamimidoyl-2-phenylmethoxyphenyl)acetyl]amino]-2-methylbenzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[[2-(5-amidino-2-benzoxy-phenyl)acetyl]amino]-2-methyl-benzoyl]pyrrolidine-2-carboxamide Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)C(=N)N)OCC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)C(=N)N)OCC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C29H31N5O4/c1-18-14-22(10-11-23(18)29(37)34-13-5-8-24(34)28(32)36)33-26(35)16-21-15-20(27(30)31)9-12-25(21)38-17-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,24H,5,8,13,16-17H2,1H3,(H3,30,31)(H2,32,36)(H,33,35)/t24-/m0/s1