2-azanyl-3-[[1-azanyl-3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-azanyl-3-[[1-azanyl-3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-amino-3-[[2-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-amino-3-[[1-amino-3-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-amino-3-[[1-amino-3-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-amino-3-[(2-amino-2-keto-1-piperonyl-ethyl)amino]-4-methyl-valeric acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-8(2)14(13(17)16(21)22)19-10(15(18)20)5-9-3-4-11-12(6-9)24-7-23-11/h3-4,6,8,10,13-14,19H,5,7,17H2,1-2H3,(H2,18,20)(H,21,22)