2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]ethanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]acetic acid CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propyl]-propylamino]acetic acid IUPAC Name: 2-[[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propylamino]acetic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-propyl-amino]acetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-2-11-23(13-18(24)25)19(26)17(12-16-9-6-10-21-16)22-20(27)28-14-15-7-4-3-5-8-15/h3-5,7-10,17H,2,6,11-14H2,1H3,(H,22,27)(H,24,25)