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

Systemtic Name: tert-butyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-prop-2-enoxy-phenyl]methylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[2-allyloxy-4-(5-amino-5-oxo-pentoxy)phenyl]methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-allyloxy-4-(5-amino-5-keto-pentoxy)benzyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C24H38N2O5 MolecularWeight: 434.56892

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O5/c1-7-13-30-20-15-19(29-14-9-8-10-21(25)27)12-11-18(20)16-26-22(17(2)3)23(28)31-24(4,5)6/h7,11-12,15,17,22,26H,1,8-10,13-14,16H2,2-6H3,(H2,25,27)/t22-/m0/s1