4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid Traditional Name: 5-cyclohexyl-3-hydroxy-4-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]valeric acid Formula: C26H41N3O5 MolecularWeight: 475.62084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H41N3O5/c1-17(2)13-22(29-25(33)20(27)14-18-9-5-3-6-10-18)26(34)28-21(23(30)16-24(31)32)15-19-11-7-4-8-12-19/h3,5-6,9-10,17,19-23,30H,4,7-8,11-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,31,32)