2-[[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-phenylmethoxy-amino]ethanoic acid

Systemtic Name: 2-[[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-phenylmethoxy-amino]ethanoic acid Openeye Name: 2-[[6-amino-2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]-benzyloxy-amino]acetic acid CAS Name: 2-[[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-phenylmethoxyamino]acetic acid IUPAC Name: 2-[[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]-phenylmethoxyamino]acetic acid Traditional Name: 2-[[6-amino-2-[(1-carbethoxy-3-phenyl-propyl)amino]hexanoyl]-benzoxy-amino]acetic acid Formula: C27H37N3O6 MolecularWeight: 499.59918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N(CC(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N(CC(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H37N3O6/c1-2-35-27(34)24(17-16-21-11-5-3-6-12-21)29-23(15-9-10-18-28)26(33)30(19-25(31)32)36-20-22-13-7-4-8-14-22/h3-8,11-14,23-24,29H,2,9-10,15-20,28H2,1H3,(H,31,32)