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

Systemtic Name: methyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-(2-nitrophenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(5-amino-5-oxo-pentoxy)-2-hydroxy-phenyl]methyl-(2-nitrobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-[(2-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-(2-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(5-amino-5-keto-pentoxy)-2-hydroxy-benzyl]-(2-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=CC=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=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O8/c1-16(2)23(25(32)35-3)27(24(31)19-8-4-5-9-20(19)28(33)34)15-17-11-12-18(14-21(17)29)36-13-7-6-10-22(26)30/h4-5,8-9,11-12,14,16,23,29H,6-7,10,13,15H2,1-3H3,(H2,26,30)/t23-/m0/s1