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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-[(1S)-4-oxidanylidenecyclohex-2-en-1-yl]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-4-oxocyclohex-2-en-1-yl]propanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-[(1S)-4-oxo-1-cyclohex-2-enyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-4-oxocyclohex-2-en-1-yl]propanoate Traditional Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1S)-4-ketocyclohex-2-en-1-yl]propionic acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-8(14)12(17)15-11(13(18)19-2)7-9-3-5-10(16)6-4-9/h3,5,8-9,11H,4,6-7,14H2,1-2H3,(H,15,17)/t8-,9-,11-/m0/s1