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

Systemtic Name: 2-[[2-[2-acetamidoethanoyl-[(2-nitrophenyl)methyl]amino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(2-acetamidoacetyl)-[(2-nitrophenyl)methyl]amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[(2-acetamido-1-oxoethyl)-[(2-nitrophenyl)methyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-acetamidoacetyl)-[(2-nitrophenyl)methyl]amino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[(2-acetamidoacetyl)-(2-nitrobenzyl)amino]-3-methyl-butanoyl]amino]acetic acid Formula: C18H24N4O7 MolecularWeight: 408.40576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CNC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CNC(=O)C

InChI

InChI=1S/C18H24N4O7/c1-11(2)17(18(27)20-9-16(25)26)21(15(24)8-19-12(3)23)10-13-6-4-5-7-14(13)22(28)29/h4-7,11,17H,8-10H2,1-3H3,(H,19,23)(H,20,27)(H,25,26)