2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid

Systemtic Name: 2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Openeye Name: 2-[(2-amino-3-methyl-pentanoyl)amino]-3-(3,4-diacetoxyphenyl)propanoic acid CAS Name: 2-[(2-amino-3-methyl-1-oxopentyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-methylpentanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Traditional Name: 2-[(2-amino-3-methyl-pentanoyl)amino]-3-(3,4-diacetoxyphenyl)propionic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7/c1-5-10(2)17(20)18(24)21-14(19(25)26)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)