1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-3-carboxamide Openeye Name: 1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-3-carboxamide CAS Name: 1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-3-carboxamide Traditional Name: 1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-3-carboxamide Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C1CCN(C1)C(=O)C(CC2=CN=CN2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC(=O)C1CCN(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)C

InChI

InChI=1S/C18H28N6O4/c1-10(2)15(16(19)26)23-17(27)12-4-5-24(8-12)18(28)14(22-11(3)25)6-13-7-20-9-21-13/h7,9-10,12,14-15H,4-6,8H2,1-3H3,(H2,19,26)(H,20,21)(H,22,25)(H,23,27)/t12?,14-,15-/m0/s1