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

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-3-methyl-valeric acid Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C20H30N4O6/c1-3-11(2)17(20(29)30)24-19(28)15(8-9-16(22)26)23-18(27)14(21)10-12-4-6-13(25)7-5-12/h4-7,11,14-15,17,25H,3,8-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)