5-azanyl-2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(tyrosylamino)acetyl]amino]valeric acid Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)N)O

InChI

InChI=1S/C16H22N4O6/c17-11(7-9-1-3-10(21)4-2-9)15(24)19-8-14(23)20-12(16(25)26)5-6-13(18)22/h1-4,11-12,21H,5-8,17H2,(H2,18,22)(H,19,24)(H,20,23)(H,25,26)