2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-pyrrolidin-1-yl-amino]ethanoic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-pyrrolidin-1-yl-amino]ethanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl-pyrrolidin-1-yl-amino]acetic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(1-pyrrolidinyl)amino]acetic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl-pyrrolidin-1-ylamino]acetic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-pyrrolidino-amino]acetic acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCCC2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCCC2

InChI

InChI=1S/C21H31N3O5/c1-3-29-21(28)18(12-11-17-9-5-4-6-10-17)22-16(2)20(27)24(15-19(25)26)23-13-7-8-14-23/h4-6,9-10,16,18,22H,3,7-8,11-15H2,1-2H3,(H,25,26)