3-[azanyl(heptan-3-yl)amino]-2-benzamido-2-methyl-propanoic acid

Systemtic Name: 3-[azanyl(heptan-3-yl)amino]-2-benzamido-2-methyl-propanoic acid Openeye Name: 3-[amino(1-ethylpentyl)amino]-2-benzamido-2-methyl-propanoic acid CAS Name: 3-[amino(heptan-3-yl)amino]-2-benzamido-2-methylpropanoic acid IUPAC Name: 3-[amino(heptan-3-yl)amino]-2-benzamido-2-methylpropanoic acid Traditional Name: 3-[amino(1-ethylpentyl)amino]-2-benzamido-2-methyl-propionic acid Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N(CC(C)(C(=O)O)NC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CCCCC(CC)N(CC(C)(C(=O)O)NC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C18H29N3O3/c1-4-6-12-15(5-2)21(19)13-18(3,17(23)24)20-16(22)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13,19H2,1-3H3,(H,20,22)(H,23,24)