2-[(3S,6R)-3-[[(2S)-9-azanyl-1-ethoxy-1-oxidanylidene-nonan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,6R)-3-[[(2S)-9-azanyl-1-ethoxy-1-oxidanylidene-nonan-2-yl]amino]-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S,6R)-3-[[(1S)-8-amino-1-ethoxycarbonyl-octyl]amino]-2-oxo-6-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[(3S,6R)-3-[[(2S)-9-amino-1-ethoxy-1-oxononan-2-yl]amino]-2-oxo-6-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[(3S,6R)-3-[[(2S)-9-amino-1-ethoxy-1-oxononan-2-yl]amino]-2-oxo-6-phenylazepan-1-yl]acetic acid Traditional Name: 2-[(3S,6R)-3-[[(1S)-8-amino-1-carbethoxy-octyl]amino]-2-keto-6-phenyl-azepan-1-yl]acetic acid Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCN)NC1CCC(CN(C1=O)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCCCCCCN)N[C@H]1CC[C@@H](CN(C1=O)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H39N3O5/c1-2-33-25(32)22(13-9-4-3-5-10-16-26)27-21-15-14-20(19-11-7-6-8-12-19)17-28(24(21)31)18-23(29)30/h6-8,11-12,20-22,27H,2-5,9-10,13-18,26H2,1H3,(H,29,30)/t20-,21-,22-/m0/s1