N-[(2S,3S,5S)-2-azanyl-5-(butylcarbamoyl)-6-methyl-3-oxidanyl-heptyl]-4-ethyl-3-(3-methoxypropoxy)-N-propan-2-yl-benzamide

Systemtic Name: N-[(2S,3S,5S)-2-azanyl-5-(butylcarbamoyl)-6-methyl-3-oxidanyl-heptyl]-4-ethyl-3-(3-methoxypropoxy)-N-propan-2-yl-benzamide Openeye Name: N-[(2S,3S,5S)-2-amino-5-(butylcarbamoyl)-3-hydroxy-6-methyl-heptyl]-4-ethyl-N-isopropyl-3-(3-methoxypropoxy)benzamide CAS Name: N-[(2S,3S,5S)-2-amino-5-[butylamino(oxo)methyl]-3-hydroxy-6-methylheptyl]-4-ethyl-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide IUPAC Name: N-[(2S,3S,5S)-2-amino-5-(butylcarbamoyl)-3-hydroxy-6-methylheptyl]-4-ethyl-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide Traditional Name: N-[(2S,3S,5S)-2-amino-5-(butylcarbamoyl)-3-hydroxy-6-methyl-heptyl]-4-ethyl-N-isopropyl-3-(3-methoxypropoxy)benzamide Formula: C29H51N3O5 MolecularWeight: 521.73234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CN(C(C)C)C(=O)C1=CC(=C(C=C1)CC)OCCCOC)N)O)C(C)C

Isomeric SMILES

CCCCNC(=O)[C@@H](C[C@@H]([C@H](CN(C(C)C)C(=O)C1=CC(=C(C=C1)CC)OCCCOC)N)O)C(C)C

InChI

InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/m0/s1