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

Systemtic Name: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-(2-benzamidoethyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-(2-benzamidoethyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-(2-benzamidoethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-(2-benzamidoethyl)amino]-4-methylpentanoic acid Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-(2-benzamidoethyl)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)N(CCNC(=O)C1=CC=CC=C1)C(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCNC(=O)C1=CC=CC=C1)C(=O)C(CC2=CN=CN2)N

InChI

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