methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-ethanoyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-ethanoyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[acetyl-[[4-(5-amino-5-oxo-pentoxy)-2-hydroxy-phenyl]methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[acetyl-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[acetyl-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[acetyl-[4-(5-amino-5-keto-pentoxy)-2-hydroxy-benzyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)O)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)O)C(=O)C

InChI

InChI=1S/C20H30N2O6/c1-13(2)19(20(26)27-4)22(14(3)23)12-15-8-9-16(11-17(15)24)28-10-6-5-7-18(21)25/h8-9,11,13,19,24H,5-7,10,12H2,1-4H3,(H2,21,25)/t19-/m0/s1