2-azanyl-3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-2-ethanoyl-5-trimethylsilyl-pent-4-ynoic acid

Systemtic Name: 2-azanyl-3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-2-ethanoyl-5-trimethylsilyl-pent-4-ynoic acid Openeye Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-5-trimethylsilyl-pent-4-ynoic acid CAS Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-5-trimethylsilyl-4-pentynoic acid IUPAC Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-5-trimethylsilylpent-4-ynoic acid Traditional Name: 2-acetyl-3-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-2-amino-5-trimethylsilyl-pent-4-ynoic acid Formula: C22H30N4O4Si MolecularWeight: 442.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C#C[Si](C)(C)C)C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)(C(=O)O)N

Isomeric SMILES

CC(=O)C(C(C#C[Si](C)(C)C)C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)(C(=O)O)N

InChI

InChI=1S/C22H30N4O4Si/c1-14(27)22(25,21(29)30)18(11-13-31(2,3)4)17-6-5-12-26(20(17)28)16-9-7-15(8-10-16)19(23)24/h7-10,17-18H,5-6,12,25H2,1-4H3,(H3,23,24)(H,29,30)