2-[[2-[[2-(2-azanylhexanoylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[[2-(2-azanylhexanoylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(2-aminohexanoylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxohexyl)amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-(2-aminohexanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(2-aminohexanoylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C27H44N4O5 MolecularWeight: 504.66206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4O5/c1-6-7-13-20(28)24(32)29-21(14-17(2)3)25(33)30-22(15-18(4)5)26(34)31-23(27(35)36)16-19-11-9-8-10-12-19/h8-12,17-18,20-23H,6-7,13-16,28H2,1-5H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)