(2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-4-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-piperazin-1-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-4-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-piperazin-1-yl]-3-methyl-butanamide Openeye Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxo-4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]-3-methyl-butanamide CAS Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxo-4-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-1-piperazinyl]-3-methylbutanamide IUPAC Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxo-4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]-3-methylbutanamide Traditional Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-keto-4-pyroglutamoyl-piperazino]-3-methyl-butyramide Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)N1CCN(C(C1=O)CC2=CN=CN2)C(=O)C3CCC(=O)N3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)N1CCN([C@H](C1=O)CC2=CN=CN2)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C18H26N6O4/c1-10(2)15(16(19)26)24-6-5-23(17(27)12-3-4-14(25)22-12)13(18(24)28)7-11-8-20-9-21-11/h8-10,12-13,15H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,25)/t12?,13-,15-/m0/s1