methyl 3-[2-oxidanylidenepropyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]propanoate

Systemtic Name: methyl 3-[2-oxidanylidenepropyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]propanoate Openeye Name: methyl 3-[acetonyl-[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]propanoate CAS Name: 3-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propyl]-(2-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxopropyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]propanoate Traditional Name: 3-[acetonyl-[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]propionic acid methyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN(CCC(=O)OC)C(=O)C(CC1=CCC=N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CN(CCC(=O)OC)C(=O)C(CC1=CCC=N1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6/c1-16(26)14-25(12-10-20(27)30-2)21(28)19(13-18-9-6-11-23-18)24-22(29)31-15-17-7-4-3-5-8-17/h3-5,7-9,11,19H,6,10,12-15H2,1-2H3,(H,24,29)