2-[[2-(2-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(alanylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-11(19)16(24)22-14(8-13-9-20-10-21-13)17(25)23-15(18(26)27)7-12-5-3-2-4-6-12/h2-6,9-11,14-15H,7-8,19H2,1H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)