2-azanyl-4-[(2-azanyl-3-methyl-butanoyl)amino]-2-butan-2-yl-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4-[(2-azanyl-3-methyl-butanoyl)amino]-2-butan-2-yl-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-[(2-amino-3-methyl-butanoyl)amino]-5-(4-hydroxyphenyl)-3-oxo-2-sec-butyl-pentanoic acid CAS Name: 2-amino-4-[(2-amino-3-methyl-1-oxobutyl)amino]-2-butan-2-yl-5-(4-hydroxyphenyl)-3-oxopentanoic acid IUPAC Name: 2-amino-4-[(2-amino-3-methylbutanoyl)amino]-2-butan-2-yl-5-(4-hydroxyphenyl)-3-oxopentanoic acid Traditional Name: 2-amino-4-[(2-amino-3-methyl-butanoyl)amino]-5-(4-hydroxyphenyl)-3-keto-2-sec-butyl-valeric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-5-12(4)20(22,19(27)28)17(25)15(23-18(26)16(21)11(2)3)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-16,24H,5,10,21-22H2,1-4H3,(H,23,26)(H,27,28)