methyl (2S)-2-[2-[(3R)-1-carbamimidoyl-3,4-dihydro-2H-pyridin-3-yl]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[2-[(3R)-1-carbamimidoyl-3,4-dihydro-2H-pyridin-3-yl]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[[2-[(3R)-1-carbamimidoyl-3,4-dihydro-2H-pyridin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: (2S)-2-[[2-[(3R)-1-carbamimidoyl-3,4-dihydro-2H-pyridin-3-yl]-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(3R)-1-carbamimidoyl-3,4-dihydro-2H-pyridin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: (2S)-2-[[2-[(3R)-1-amidino-3,4-dihydro-2H-pyridin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CC3CC=CN(C3)C(=N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)C[C@H]3CC=CN(C3)C(=N)N

InChI

InChI=1S/C26H28N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-7,11-15,22-23H,8,16-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1