2-(hexanoylamino)-3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 2-(hexanoylamino)-3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 2-(hexanoylamino)-3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 2-(1-oxohexylamino)-3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 2-(hexanoylamino)-3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 2-(caproylamino)-3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propionic acid Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC4=C(CCNCC4)C=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC4=C(CCNCC4)C=C3)C(=O)O

InChI

InChI=1S/C28H36N4O4/c1-2-3-4-5-26(33)30-25(27(34)35)18-20-6-9-23(10-7-20)31-16-17-32(28(31)36)24-11-8-21-12-14-29-15-13-22(21)19-24/h6-11,19,25,29H,2-5,12-18H2,1H3,(H,30,33)(H,34,35)