(phenylmethyl) 2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]acetic acid benzyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C21H25N3O4/c1-15(22)20(26)24-18(12-16-8-4-2-5-9-16)21(27)23-13-19(25)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,22H2,1H3,(H,23,27)(H,24,26)