methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]ethanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propyl]-propylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propylamino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]acetic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-3-12-24(14-19(25)28-2)20(26)18(13-17-10-7-11-22-17)23-21(27)29-15-16-8-5-4-6-9-16/h4-6,8-11,18H,3,7,12-15H2,1-2H3,(H,23,27)