2,5-bis(azanyl)-2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(carboxymethyl)-4-oxidanylidene-octanedioic acid

Systemtic Name: 2,5-bis(azanyl)-2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(carboxymethyl)-4-oxidanylidene-octanedioic acid Openeye Name: 2,5-diamino-2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(carboxymethyl)-4-oxo-octanedioic acid CAS Name: 2,5-diamino-2,3-bis[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-(carboxymethyl)-4-oxooctanedioic acid IUPAC Name: 2,5-diamino-2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(carboxymethyl)-4-oxooctanedioic acid Traditional Name: 2,5-diamino-3-(carboxymethyl)-4-keto-2,3-dityrosyl-suberic acid Formula: C28H34N4O11 MolecularWeight: 602.58976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)C(CC(=O)O)(C(=O)C(CCC(=O)O)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)N)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)C(CC(=O)O)(C(=O)C(CCC(=O)O)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)N)N)O

InChI

InChI=1S/C28H34N4O11/c29-18(9-10-21(35)36)23(39)27(13-22(37)38,24(40)19(30)11-14-1-5-16(33)6-2-14)28(32,26(42)43)25(41)20(31)12-15-3-7-17(34)8-4-15/h1-8,18-20,33-34H,9-13,29-32H2,(H,35,36)(H,37,38)(H,42,43)