4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-1-ethanoyl-N-methyl-2,3-dihydroquinoxaline-2-carboxamide

Systemtic Name: 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-1-ethanoyl-N-methyl-2,3-dihydroquinoxaline-2-carboxamide Openeye Name: 1-acetyl-4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-N-methyl-2,3-dihydroquinoxaline-2-carboxamide CAS Name: 1-acetyl-4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-N-methyl-2,3-dihydroquinoxaline-2-carboxamide IUPAC Name: 1-acetyl-4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-N-methyl-2,3-dihydroquinoxaline-2-carboxamide Traditional Name: 1-acetyl-4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-N-methyl-2,3-dihydroquinoxaline-2-carboxamide Formula: C28H45N5O5 MolecularWeight: 531.6874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(N(C2=CC=CC=C21)C(=O)C)C(=O)NC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(N(C2=CC=CC=C21)C(=O)C)C(=O)NC)N)O

InChI

InChI=1S/C28H45N5O5/c1-7-8-13-31-26(37)18(2)14-24(35)20(29)15-28(4,5)16-25(36)32-17-23(27(38)30-6)33(19(3)34)22-12-10-9-11-21(22)32/h9-12,18,20,23-24,35H,7-8,13-17,29H2,1-6H3,(H,30,38)(H,31,37)