3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl 2-oxidanylbenzoate

Systemtic Name: 3-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxypropyl 2-oxidanylbenzoate Openeye Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropoxy]propyl ester IUPAC Name: 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 3-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropyl ester Formula: C19H21NO7 MolecularWeight: 375.37254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCOC(=O)C(CC2=CC(=C(C=C2)O)O)N)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCOC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N)O

InChI

InChI=1S/C19H21NO7/c20-14(10-12-6-7-16(22)17(23)11-12)19(25)27-9-3-8-26-18(24)13-4-1-2-5-15(13)21/h1-2,4-7,11,14,21-23H,3,8-10,20H2/t14-/m0/s1