methyl (2S)-2-[methanoyl-[2-oxidanyl-4-oxidanylidene-1-(1H-pyrrol-3-yl)decyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[methanoyl-[2-oxidanyl-4-oxidanylidene-1-(1H-pyrrol-3-yl)decyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[formyl-[2-hydroxy-4-oxo-1-(1H-pyrrol-3-yl)decyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[formyl-[2-hydroxy-4-oxo-1-(1H-pyrrol-3-yl)decyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[formyl-[2-hydroxy-4-oxo-1-(1H-pyrrol-3-yl)decyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[formyl-[2-hydroxy-4-keto-1-(1H-pyrrol-3-yl)decyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC(C(C1=CNC=C1)N(C=O)C(C(C)C)C(=O)OC)O

Isomeric SMILES

CCCCCCC(=O)CC(C(C1=CNC=C1)N(C=O)[C@@H](C(C)C)C(=O)OC)O

InChI

InChI=1S/C21H34N2O5/c1-5-6-7-8-9-17(25)12-18(26)20(16-10-11-22-13-16)23(14-24)19(15(2)3)21(27)28-4/h10-11,13-15,18-20,22,26H,5-9,12H2,1-4H3/t18?,19-,20?/m0/s1