2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(1H-imidazol-5-yl)-2-(phenylalanylamino)propanoyl]amino]-4-methyl-valeric acid Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H29N5O4/c1-13(2)8-18(21(29)30)26-20(28)17(10-15-11-23-12-24-15)25-19(27)16(22)9-14-6-4-3-5-7-14/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)