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

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-amino-4-keto-2-(tyrosylamino)butanoyl]amino]-3-methyl-valeric acid Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O6/c1-3-10(2)16(19(28)29)23-18(27)14(9-15(21)25)22-17(26)13(20)8-11-4-6-12(24)7-5-11/h4-7,10,13-14,16,24H,3,8-9,20H2,1-2H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)