methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-prop-2-enoxy-phenyl]methyl-(2-methoxyphenyl)carbonyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-prop-2-enoxy-phenyl]methyl-(2-methoxyphenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-allyloxy-4-(5-amino-5-oxo-pentoxy)phenyl]methyl-(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methyl-[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methyl-(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-allyloxy-4-(5-amino-5-keto-pentoxy)benzyl]-o-anisoyl-amino]-3-methyl-butyric acid methyl ester Formula: C29H38N2O7 MolecularWeight: 526.62122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)OCC=C)C(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)OCC=C)C(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C29H38N2O7/c1-6-16-38-25-18-22(37-17-10-9-13-26(30)32)15-14-21(25)19-31(27(20(2)3)29(34)36-5)28(33)23-11-7-8-12-24(23)35-4/h6-8,11-12,14-15,18,20,27H,1,9-10,13,16-17,19H2,2-5H3,(H2,30,32)/t27-/m0/s1