N-[(2R,4S,5S,7S)-4-azanyl-7-[2-(4-ethanoylpiperidin-1-yl)ethylcarbamoyl]-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(4-methoxybutoxy)benzamide

Systemtic Name: N-[(2R,4S,5S,7S)-4-azanyl-7-[2-(4-ethanoylpiperidin-1-yl)ethylcarbamoyl]-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(4-methoxybutoxy)benzamide Openeye Name: N-[(2R,4S,5S,7S)-7-[2-(4-acetyl-1-piperidyl)ethylcarbamoyl]-4-amino-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(4-methoxybutoxy)benzamide CAS Name: N-[(2R,4S,5S,7S)-7-[[2-(4-acetyl-1-piperidinyl)ethylamino]-oxomethyl]-4-amino-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(4-methoxybutoxy)benzamide IUPAC Name: N-[(2R,4S,5S,7S)-7-[2-(4-acetylpiperidin-1-yl)ethylcarbamoyl]-4-amino-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(4-methoxybutoxy)benzamide Traditional Name: N-[(2R,4S,5S,7S)-7-[2-(4-acetylpiperidino)ethylcarbamoyl]-4-amino-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(4-methoxybutoxy)benzamide Formula: C35H60N4O6 MolecularWeight: 632.8741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC(C(C)C)C(=O)NCCN1CCC(CC1)C(=O)C)O)N)CNC(=O)C2=CC=CC=C2OCCCCOC

Isomeric SMILES

CC(C)[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCCN1CCC(CC1)C(=O)C)O)N)CNC(=O)C2=CC=CC=C2OCCCCOC

InChI

InChI=1S/C35H60N4O6/c1-24(2)28(23-38-34(42)29-11-7-8-12-33(29)45-20-10-9-19-44-6)21-31(36)32(41)22-30(25(3)4)35(43)37-15-18-39-16-13-27(14-17-39)26(5)40/h7-8,11-12,24-25,27-28,30-32,41H,9-10,13-23,36H2,1-6H3,(H,37,43)(H,38,42)/t28-,30-,31-,32-/m0/s1