3-iodanylprop-2-ynyl 2-[2-azanylpropanoyl(butoxycarbonyl)amino]-3-phenylmethoxy-butanoate

Systemtic Name: 3-iodanylprop-2-ynyl 2-[2-azanylpropanoyl(butoxycarbonyl)amino]-3-phenylmethoxy-butanoate Openeye Name: 3-iodoprop-2-ynyl 2-[2-aminopropanoyl(butoxycarbonyl)amino]-3-benzyloxy-butanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[butoxy(oxo)methyl]amino]-3-phenylmethoxybutanoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 2-[2-aminopropanoyl(butoxycarbonyl)amino]-3-phenylmethoxybutanoate Traditional Name: 2-[alanyl(butoxycarbonyl)amino]-3-benzoxy-butyric acid 3-iodoprop-2-ynyl ester Formula: C22H29IN2O6 MolecularWeight: 544.37993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C(C(C)OCC1=CC=CC=C1)C(=O)OCC#CI)C(=O)C(C)N

Isomeric SMILES

CCCCOC(=O)N(C(C(C)OCC1=CC=CC=C1)C(=O)OCC#CI)C(=O)C(C)N

InChI

InChI=1S/C22H29IN2O6/c1-4-5-13-30-22(28)25(20(26)16(2)24)19(21(27)29-14-9-12-23)17(3)31-15-18-10-7-6-8-11-18/h6-8,10-11,16-17,19H,4-5,13-15,24H2,1-3H3