4-methyl-2-[2-[[2-[(4-methyl-3-oxidanyl-octanoyl)amino]-3-phenyl-propanoyl]amino]propanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-[[2-[(4-methyl-3-oxidanyl-octanoyl)amino]-3-phenyl-propanoyl]amino]propanoylamino]pentanoic acid Openeye Name: 2-[2-[[2-[(3-hydroxy-4-methyl-octanoyl)amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(3-hydroxy-4-methyl-1-oxooctyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-[[2-[(3-hydroxy-4-methyloctanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[2-[[2-[(3-hydroxy-4-methyl-octanoyl)amino]-3-phenyl-propanoyl]amino]propanoylamino]-4-methyl-valeric acid Formula: C27H43N3O6 MolecularWeight: 505.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)O

Isomeric SMILES

CCCCC(C)C(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)O

InChI

InChI=1S/C27H43N3O6/c1-6-7-11-18(4)23(31)16-24(32)29-21(15-20-12-9-8-10-13-20)26(34)28-19(5)25(33)30-22(27(35)36)14-17(2)3/h8-10,12-13,17-19,21-23,31H,6-7,11,14-16H2,1-5H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)