3-methyl-2-[2-[2-(naphthalen-1-ylcarbonylamino)ethanoylamino]propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(naphthalen-1-ylcarbonylamino)ethanoylamino]propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-[[2-(naphthalene-1-carbonylamino)acetyl]amino]propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[2-[[2-[[1-naphthalenyl(oxo)methyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-[[2-(naphthalene-1-carbonylamino)acetyl]amino]propanoylamino]butanoic acid Traditional Name: 3-methyl-2-[2-[[2-(1-naphthoylamino)acetyl]amino]propanoylamino]butyric acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H25N3O5/c1-12(2)18(21(28)29)24-19(26)13(3)23-17(25)11-22-20(27)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13,18H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)