2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butyric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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