(2S)-1-[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[(4-acetoxyphenyl)methoxycarbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(4-acetyloxyphenyl)methoxy-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[(4-acetoxybenzyl)oxycarbonylamino]-4-methyl-pentanoyl]proline Formula: C21H28N2O7 MolecularWeight: 420.45622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C21H28N2O7/c1-13(2)11-17(19(25)23-10-4-5-18(23)20(26)27)22-21(28)29-12-15-6-8-16(9-7-15)30-14(3)24/h6-9,13,17-18H,4-5,10-12H2,1-3H3,(H,22,28)(H,26,27)/t17-,18-/m0/s1