N-[(2R,4S,5S,7S)-4-azanyl-7-[(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)carbamoyl]-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(4-methoxybutoxy)benzamide

Systemtic Name: N-[(2R,4S,5S,7S)-4-azanyl-7-[(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)carbamoyl]-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]-2-(4-methoxybutoxy)benzamide Openeye Name: N-[(2R,4S,5S,7S)-4-amino-7-[(3-amino-2,2-dimethyl-3-oxo-propyl)carbamoyl]-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(4-methoxybutoxy)benzamide CAS Name: N-[(2R,4S,5S,7S)-4-amino-7-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-oxomethyl]-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(4-methoxybutoxy)benzamide IUPAC Name: N-[(2R,4S,5S,7S)-4-amino-7-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-5-hydroxy-8-methyl-2-propan-2-ylnonyl]-2-(4-methoxybutoxy)benzamide Traditional Name: N-[(2R,4S,5S,7S)-4-amino-7-[(3-amino-3-keto-2,2-dimethyl-propyl)carbamoyl]-5-hydroxy-2-isopropyl-8-methyl-nonyl]-2-(4-methoxybutoxy)benzamide Formula: C31H54N4O6 MolecularWeight: 578.78366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N)CNC(=O)C1=CC=CC=C1OCCCCOC

Isomeric SMILES

CC(C)[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N)CNC(=O)C1=CC=CC=C1OCCCCOC

InChI

InChI=1S/C31H54N4O6/c1-20(2)22(18-34-28(37)23-12-8-9-13-27(23)41-15-11-10-14-40-7)16-25(32)26(36)17-24(21(3)4)29(38)35-19-31(5,6)30(33)39/h8-9,12-13,20-22,24-26,36H,10-11,14-19,32H2,1-7H3,(H2,33,39)(H,34,37)(H,35,38)/t22-,24-,25-,26-/m0/s1