4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-(benzyloxycarbonylamino)-3-oxo-butanoic acid CAS Name: 4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-keto-4-(tyrosylamino)butyric acid Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N)C(=O)O

InChI

InChI=1S/C21H23N3O7/c22-16(10-13-6-8-15(25)9-7-13)19(27)23-11-17(26)18(20(28)29)24-21(30)31-12-14-4-2-1-3-5-14/h1-9,16,18,25H,10-12,22H2,(H,23,27)(H,24,30)(H,28,29)