3-[3-(9-azaspiro[5.5]undecan-3-ylcarbonylamino)propanoylamino]-5-phenyl-pentanoic acid

Systemtic Name: 3-[3-(9-azaspiro[5.5]undecan-3-ylcarbonylamino)propanoylamino]-5-phenyl-pentanoic acid Openeye Name: 3-[3-(9-azaspiro[5.5]undecane-3-carbonylamino)propanoylamino]-5-phenyl-pentanoic acid CAS Name: 3-[[3-[[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]amino]-1-oxopropyl]amino]-5-phenylpentanoic acid IUPAC Name: 3-[3-(9-azaspiro[5.5]undecane-3-carbonylamino)propanoylamino]-5-phenylpentanoic acid Traditional Name: 3-[3-(9-azaspiro[5.5]undecane-3-carbonylamino)propanoylamino]-5-phenyl-valeric acid Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)NCCC(=O)NC(CCC3=CC=CC=C3)CC(=O)O)CCNCC2

Isomeric SMILES

C1CC2(CCC1C(=O)NCCC(=O)NC(CCC3=CC=CC=C3)CC(=O)O)CCNCC2

InChI

InChI=1S/C25H37N3O4/c29-22(28-21(18-23(30)31)7-6-19-4-2-1-3-5-19)10-15-27-24(32)20-8-11-25(12-9-20)13-16-26-17-14-25/h1-5,20-21,26H,6-18H2,(H,27,32)(H,28,29)(H,30,31)