2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]-3-(1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]-3-(1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]-3-(1,3-benzodioxol-5-yl)propanoic acid CAS Name: 2-[acetyl-(2-amino-4-methyl-1-oxopentyl)amino]-3-(1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-3-(1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]-3-(1,3-benzodioxol-5-yl)propionic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC2=C(C=C1)OCO2)C(=O)O)C(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC2=C(C=C1)OCO2)C(=O)O)C(=O)C)N

InChI

InChI=1S/C18H24N2O6/c1-10(2)6-13(19)17(22)20(11(3)21)14(18(23)24)7-12-4-5-15-16(8-12)26-9-25-15/h4-5,8,10,13-14H,6-7,9,19H2,1-3H3,(H,23,24)