(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-N-[(1R)-3-amino-1-benzyl-3-oxo-propyl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-[(2R)-4-amino-4-oxo-1-phenylbutan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-4-amino-4-oxo-1-phenylbutan-2-yl]-4-methylpentanamide Traditional Name: (2S)-N-[(1R)-3-amino-1-benzyl-3-keto-propyl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-valeramide Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)CC(=O)N)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)CC(=O)N)NC(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C22H32N6O3/c1-14(2)8-19(28-21(30)18(23)10-17-12-25-13-26-17)22(31)27-16(11-20(24)29)9-15-6-4-3-5-7-15/h3-7,12-14,16,18-19H,8-11,23H2,1-2H3,(H2,24,29)(H,25,26)(H,27,31)(H,28,30)/t16-,18+,19+/m1/s1