(phenylmethyl) 4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(2-azanylpropanoyloxy)naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(2-azanylpropanoyloxy)naphthalene-2-carboxylate Openeye Name: benzyl 4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(2-aminopropanoyloxy)naphthalene-2-carboxylate CAS Name: 4-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-(2-amino-1-oxopropoxy)-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(2-aminopropanoyloxy)naphthalene-2-carboxylate Traditional Name: 3-alanyloxy-4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]naphthalene-2-carboxylic acid benzyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N)N

Isomeric SMILES

CC(C(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N)N

InChI

InChI=1S/C27H26N4O5/c1-16(28)26(33)36-25-21(27(34)35-14-17-7-3-2-4-8-17)11-18-9-5-6-10-20(18)23(25)24(32)22(29)12-19-13-30-15-31-19/h2-11,13,15-16,22H,12,14,28-29H2,1H3,(H,30,31)