2-[[2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-amino-3-(3,4-diacetyloxyphenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-amino-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-3-methyl-valeric acid Formula: C19H26N2O7 MolecularWeight: 394.41894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)N

InChI

InChI=1S/C19H26N2O7/c1-5-10(2)17(19(25)26)21-18(24)14(20)8-13-6-7-15(27-11(3)22)16(9-13)28-12(4)23/h6-7,9-10,14,17H,5,8,20H2,1-4H3,(H,21,24)(H,25,26)