tert-butyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(5-amino-5-oxo-pentoxy)-2-hydroxy-phenyl]methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(5-amino-5-keto-pentoxy)-2-hydroxy-benzyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NCC1=C(C=C(C=C1)OCCCCC(=O)N)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NCC1=C(C=C(C=C1)OCCCCC(=O)N)O

InChI

InChI=1S/C21H34N2O5/c1-14(2)19(20(26)28-21(3,4)5)23-13-15-9-10-16(12-17(15)24)27-11-7-6-8-18(22)25/h9-10,12,14,19,23-24H,6-8,11,13H2,1-5H3,(H2,22,25)/t19-/m0/s1