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

Systemtic Name: methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-(4-nitrophenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(5-amino-5-oxo-pentoxy)-2-hydroxy-phenyl]methyl-(4-nitrobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-[(4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-(4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(5-amino-5-keto-pentoxy)-2-hydroxy-benzyl]-(4-nitrobenzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C25H31N3O8 MolecularWeight: 501.52894

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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)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O8/c1-16(2)23(25(32)35-3)27(24(31)17-7-10-19(11-8-17)28(33)34)15-18-9-12-20(14-21(18)29)36-13-5-4-6-22(26)30/h7-12,14,16,23,29H,4-6,13,15H2,1-3H3,(H2,26,30)/t23-/m0/s1