2,4-bis(azanyl)-2-(2-azanylethanoyl)-5-(1H-imidazol-5-yl)-3-oxidanylidene-pentanoic acid; phenylmethoxymethylbenzene

Systemtic Name: 2,4-bis(azanyl)-2-(2-azanylethanoyl)-5-(1H-imidazol-5-yl)-3-oxidanylidene-pentanoic acid; phenylmethoxymethylbenzene Openeye Name: benzyloxymethylbenzene; 2,4-diamino-2-(2-aminoacetyl)-5-(1H-imidazol-5-yl)-3-oxo-pentanoic acid CAS Name: 2,4-diamino-2-(2-amino-1-oxoethyl)-5-(1H-imidazol-5-yl)-3-oxopentanoic acid; phenylmethoxymethylbenzene IUPAC Name: 2,4-diamino-2-(2-aminoacetyl)-5-(1H-imidazol-5-yl)-3-oxopentanoic acid; phenylmethoxymethylbenzene Traditional Name: benzoxymethylbenzene; 2,4-diamino-2-glycyl-5-(1H-imidazol-5-yl)-3-keto-valeric acid Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC=CC=C2.C1=C(NC=N1)CC(C(=O)C(C(=O)CN)(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC=CC=C2.C1=C(NC=N1)CC(C(=O)C(C(=O)CN)(C(=O)O)N)N

InChI

InChI=1S/C14H14O.C10H15N5O4/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;11-2-7(16)10(13,9(18)19)8(17)6(12)1-5-3-14-4-15-5/h1-10H,11-12H2;3-4,6H,1-2,11-13H2,(H,14,15)(H,18,19)