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

Systemtic Name: 2-azanyl-4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-3-oxidanylidene-2-propan-2-yl-pentanoic acid Openeye Name: 2-amino-4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-2-isopropyl-3-oxo-pentanoic acid CAS Name: 2-amino-4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-3-oxo-2-propan-2-ylpentanoic acid IUPAC Name: 2-amino-4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-3-oxo-2-propan-2-ylpentanoic acid Traditional Name: 2-amino-5-hydroxy-2-isopropyl-3-keto-4-(tyrosylamino)valeric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-9(2)17(19,16(25)26)14(23)13(8-21)20-15(24)12(18)7-10-3-5-11(22)6-4-10/h3-6,9,12-13,21-22H,7-8,18-19H2,1-2H3,(H,20,24)(H,25,26)