(2S)-2-[deuterio-(3,4,5-tripentoxyphenyl)carbonyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[deuterio-(3,4,5-tripentoxyphenyl)carbonyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[deuterio-(3,4,5-tripentoxybenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[deuterio-[oxo-(3,4,5-tripentoxyphenyl)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[deuterio-(3,4,5-tripentoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[deuterio-(3,4,5-triamoxybenzoyl)amino]-4-(methylthio)butyric acid Formula: C27H45NO6S MolecularWeight: 512.720462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1OCCCCC)OCCCCC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[2H]N([C@@H](CCSC)C(=O)O)C(=O)C1=CC(=C(C(=C1)OCCCCC)OCCCCC)OCCCCC

InChI

InChI=1S/C27H45NO6S/c1-5-8-11-15-32-23-19-21(26(29)28-22(27(30)31)14-18-35-4)20-24(33-16-12-9-6-2)25(23)34-17-13-10-7-3/h19-20,22H,5-18H2,1-4H3,(H,28,29)(H,30,31)/t22-/m0/s1/i/hD