2-[[2-[2-acetamidoethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-acetamidoethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(2-acetamidoacetyl)-benzyl-amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[(2-acetamido-1-oxoethyl)-(phenylmethyl)amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-acetamidoacetyl)-benzylamino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[(2-acetamidoacetyl)-benzyl-amino]-3-methyl-butanoyl]amino]acetic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)N(CC1=CC=CC=C1)C(=O)CNC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)O)N(CC1=CC=CC=C1)C(=O)CNC(=O)C

InChI

InChI=1S/C18H25N3O5/c1-12(2)17(18(26)20-10-16(24)25)21(15(23)9-19-13(3)22)11-14-7-5-4-6-8-14/h4-8,12,17H,9-11H2,1-3H3,(H,19,22)(H,20,26)(H,24,25)