2-[(4Z,6Z)-2-azanyl-7-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-8-oxidanylidene-3H-1,2-diazocin-1-yl]ethanoic acid

Systemtic Name: 2-[(4Z,6Z)-2-azanyl-7-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-8-oxidanylidene-3H-1,2-diazocin-1-yl]ethanoic acid Openeye Name: 2-[(4Z,6Z)-2-amino-7-(1-ethoxycarbonyl-3-phenyl-propyl)-8-oxo-3H-diazocin-1-yl]acetic acid CAS Name: 2-[(4Z,6Z)-2-amino-7-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-8-oxo-3H-diazocin-1-yl]acetic acid IUPAC Name: 2-[(4Z,6Z)-2-amino-7-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-8-oxo-3H-diazocin-1-yl]acetic acid Traditional Name: 2-[(4Z,6Z)-2-amino-7-(1-carbethoxy-3-phenyl-propyl)-8-keto-3H-diazocin-1-yl]acetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)C2=CC=CCN(N(C2=O)CC(=O)O)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)/C/2=C/C=C\CN(N(C2=O)CC(=O)O)N

InChI

InChI=1S/C20H25N3O5/c1-2-28-20(27)17(12-11-15-8-4-3-5-9-15)16-10-6-7-13-23(21)22(19(16)26)14-18(24)25/h3-10,17H,2,11-14,21H2,1H3,(H,24,25)/b7-6-,16-10-