(2R,4S,5S)-5-azanyl-N-butyl-6-[[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-propan-2-yl-amino]-2-methyl-4-oxidanyl-hexanamide

Systemtic Name: (2R,4S,5S)-5-azanyl-N-butyl-6-[[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-propan-2-yl-amino]-2-methyl-4-oxidanyl-hexanamide Openeye Name: (2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-[isopropyl-[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-amino]-2-methyl-hexanamide CAS Name: (2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-[[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-propan-2-ylamino]-2-methylhexanamide IUPAC Name: (2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-[[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-propan-2-ylamino]-2-methylhexanamide Traditional Name: (2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-[isopropyl-[4-methoxy-3-(3-methoxypropoxy)phenyl]sulfonyl-amino]-2-methyl-hexanamide Formula: C25H45N3O7S MolecularWeight: 531.7057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N3O7S/c1-7-8-12-27-25(30)19(4)15-22(29)21(26)17-28(18(2)3)36(31,32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,29H,7-9,12-15,17,26H2,1-6H3,(H,27,30)/t19-,21+,22+/m1/s1