methyl (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-[(1S)-3-bromanyl-4-oxidanylidene-cyclohex-2-en-1-yl]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-[(1S)-3-bromanyl-4-oxidanylidene-cyclohex-2-en-1-yl]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-3-bromo-4-oxo-cyclohex-2-en-1-yl]propanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-[(1S)-3-bromo-4-oxo-1-cyclohex-2-enyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-3-bromo-4-oxocyclohex-2-en-1-yl]propanoate Traditional Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-3-bromo-4-keto-cyclohex-2-en-1-yl]propionic acid methyl ester Formula: C13H19BrN2O4 MolecularWeight: 347.20496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1CCC(=O)C(=C1)Br)C(=O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C[C@@H]1CCC(=O)C(=C1)Br)C(=O)OC)N

InChI

InChI=1S/C13H19BrN2O4/c1-7(15)12(18)16-10(13(19)20-2)6-8-3-4-11(17)9(14)5-8/h5,7-8,10H,3-4,6,15H2,1-2H3,(H,16,18)/t7-,8+,10-/m0/s1