2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: 4-methyl-2-[[2-[[3-methyl-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]valeric acid Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5/c1-13(2)10-17(22(30)31)25-18(27)12-24-21(29)19(14(3)4)26-20(28)16(23)11-15-8-6-5-7-9-15/h5-9,13-14,16-17,19H,10-12,23H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)(H,30,31)