(2S,3S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanamide CAS Name: (2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methylpentanamide IUPAC Name: (2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanamide Traditional Name: (2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-valeramide Formula: C12H21N5O2 MolecularWeight: 267.32744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C(CC1=CN=CN1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C12H21N5O2/c1-3-7(2)10(11(14)18)17-12(19)9(13)4-8-5-15-6-16-8/h5-7,9-10H,3-4,13H2,1-2H3,(H2,14,18)(H,15,16)(H,17,19)/t7-,9-,10-/m0/s1