methyl (2S)-2-[[(2R)-2-ethyl-4-nitro-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-ethyl-4-nitro-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-ethyl-4-nitro-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-ethyl-4-nitro-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-ethyl-4-nitrobutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-ethyl-4-nitro-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC[N+](=O)[O-])C(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-3-13(9-10-18(21)22)15(19)17-14(16(20)23-2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,17,19)/t13-,14+/m1/s1