N-[(2R,4S,5S,7S)-4-azanyl-7-(butylcarbamoyl)-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(propoxymethyl)benzamide

Systemtic Name: N-[(2R,4S,5S,7S)-4-azanyl-7-(butylcarbamoyl)-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(propoxymethyl)benzamide Openeye Name: N-[(2R,4S,5S,7S)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(propoxymethyl)benzamide CAS Name: N-[(2R,4S,5S,7S)-4-amino-7-[butylamino(oxo)methyl]-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(propoxymethyl)benzamide IUPAC Name: N-[(2R,4S,5S,7S)-4-amino-7-(butylcarbamoyl)-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(propoxymethyl)benzamide Traditional Name: N-[(2R,4S,5S,7S)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(propoxymethyl)benzamide Formula: C29H51N3O4 MolecularWeight: 505.73294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CC(CNC(=O)C1=CC=CC=C1COCCC)C(C)C)N)O)C(C)C

Isomeric SMILES

CCCCNC(=O)[C@@H](C[C@@H]([C@H](C[C@@H](CNC(=O)C1=CC=CC=C1COCCC)C(C)C)N)O)C(C)C

InChI

InChI=1S/C29H51N3O4/c1-7-9-14-31-29(35)25(21(5)6)17-27(33)26(30)16-23(20(3)4)18-32-28(34)24-13-11-10-12-22(24)19-36-15-8-2/h10-13,20-21,23,25-27,33H,7-9,14-19,30H2,1-6H3,(H,31,35)(H,32,34)/t23-,25-,26-,27-/m0/s1