2-[1-phenylethyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[1-phenylethyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-(1-phenylethyl)amino]acetic acid CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propyl]-(1-phenylethyl)amino]acetic acid IUPAC Name: 2-[1-phenylethyl-[2-(phenylmethoxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(3H-pyrrol-5-yl)propanoyl]-(1-phenylethyl)amino]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC(=O)O)C(=O)C(CC2=CCC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)N(CC(=O)O)C(=O)C(CC2=CCC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-18(20-11-6-3-7-12-20)28(16-23(29)30)24(31)22(15-21-13-8-14-26-21)27-25(32)33-17-19-9-4-2-5-10-19/h2-7,9-14,18,22H,8,15-17H2,1H3,(H,27,32)(H,29,30)