3-azanyl-1-[4-methyl-2-oxidanylidene-5-[2,3,4-tris(oxidanyl)butylamino]pentyl]-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 3-azanyl-1-[4-methyl-2-oxidanylidene-5-[2,3,4-tris(oxidanyl)butylamino]pentyl]-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 3-amino-1-[4-methyl-2-oxo-5-(2,3,4-trihydroxybutylamino)pentyl]-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 3-amino-1-[4-methyl-2-oxo-5-(2,3,4-trihydroxybutylamino)pentyl]-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 3-amino-1-[4-methyl-2-oxo-5-(2,3,4-trihydroxybutylamino)pentyl]-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 3-amino-1-[2-keto-4-methyl-5-(2,3,4-trihydroxybutylamino)pentyl]-4,5-dihydro-3H-1-benzazepin-2-one Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CN1C2=CC=CC=C2CCC(C1=O)N)CNCC(C(CO)O)O

Isomeric SMILES

CC(CC(=O)CN1C2=CC=CC=C2CCC(C1=O)N)CNCC(C(CO)O)O

InChI

InChI=1S/C20H31N3O5/c1-13(9-22-10-18(26)19(27)12-24)8-15(25)11-23-17-5-3-2-4-14(17)6-7-16(21)20(23)28/h2-5,13,16,18-19,22,24,26-27H,6-12,21H2,1H3