methyl 2-[2-[[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[2-[[2-amino-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate CAS Name: 2-[[2-[[2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[2-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]-4-methylpentanoate Traditional Name: 2-[2-[[2-amino-3-(4-benzoxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-valeric acid methyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5/c1-17(2)14-23(26(32)33-4)29-24(30)18(3)28-25(31)22(27)15-19-10-12-21(13-11-19)34-16-20-8-6-5-7-9-20/h5-13,17-18,22-23H,14-16,27H2,1-4H3,(H,28,31)(H,29,30)