3-iodanylprop-2-ynyl 2-[2-azanylpropanoyl(butoxycarbonyl)amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 3-iodanylprop-2-ynyl 2-[2-azanylpropanoyl(butoxycarbonyl)amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: 3-iodoprop-2-ynyl 2-[2-aminopropanoyl(butoxycarbonyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[butoxy(oxo)methyl]amino]-3-(phenylmethylthio)propanoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 2-[2-aminopropanoyl(butoxycarbonyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[alanyl(butoxycarbonyl)amino]-3-(benzylthio)propionic acid 3-iodoprop-2-ynyl ester Formula: C21H27IN2O5S MolecularWeight: 546.41895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C(CSCC1=CC=CC=C1)C(=O)OCC#CI)C(=O)C(C)N

Isomeric SMILES

CCCCOC(=O)N(C(CSCC1=CC=CC=C1)C(=O)OCC#CI)C(=O)C(C)N

InChI

InChI=1S/C21H27IN2O5S/c1-3-4-12-29-21(27)24(19(25)16(2)23)18(20(26)28-13-8-11-22)15-30-14-17-9-6-5-7-10-17/h5-7,9-10,16,18H,3-4,12-15,23H2,1-2H3