2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(oxidanylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(oxidanylamino)-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-benzyloxycarbonyl-amino]-3-(hydroxyamino)-3-oxo-propanoic acid CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-phenylmethoxycarbonylamino]-3-(hydroxyamino)-3-oxopropanoic acid IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-phenylmethoxycarbonylamino]-3-(hydroxyamino)-3-oxopropanoic acid Traditional Name: 2-[carbobenzoxy(tyrosyl)amino]-3-(hydroxyamino)-3-keto-propionic acid Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(C(=O)NO)C(=O)O)C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(C(=O)NO)C(=O)O)C(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C20H21N3O8/c21-15(10-12-6-8-14(24)9-7-12)18(26)23(16(19(27)28)17(25)22-30)20(29)31-11-13-4-2-1-3-5-13/h1-9,15-16,24,30H,10-11,21H2,(H,22,25)(H,27,28)