methyl 2-[2-(3-carbamimidoylpiperidin-1-yl)ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl 2-[2-(3-carbamimidoylpiperidin-1-yl)ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl 2-[[2-(3-carbamimidoyl-1-piperidyl)acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: 2-[[2-(3-carbamimidoyl-1-piperidinyl)-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-carbamimidoylpiperidin-1-yl)acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: 2-[[2-(3-amidinopiperidino)acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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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)CN3CCCC(C3)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CN3CCCC(C3)C(=N)N

InChI

InChI=1S/C26H30N4O3/c1-33-26(32)23(29-24(31)18-30-15-5-8-22(17-30)25(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)