2,6,10-tris(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-methyl-5-oxidanylidene-decanoic acid

Systemtic Name: 2,6,10-tris(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-methyl-5-oxidanylidene-decanoic acid Openeye Name: 2,6,10-triamino-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)-3-methyl-5-oxo-decanoic acid CAS Name: 2,6,10-triamino-3-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-3-methyl-5-oxodecanoic acid IUPAC Name: 2,6,10-triamino-3-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)-3-methyl-5-oxodecanoic acid Traditional Name: 2,6,10-triamino-3-(2-amino-3-methyl-butanoyl)-5-keto-3-methyl-2-phenylalanyl-capric acid Formula: C25H41N5O5 MolecularWeight: 491.62354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C)(CC(=O)C(CCCCN)N)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C(C)(CC(=O)C(CCCCN)N)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

InChI

InChI=1S/C25H41N5O5/c1-15(2)20(29)22(33)24(3,14-19(31)17(27)11-7-8-12-26)25(30,23(34)35)21(32)18(28)13-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,20H,7-8,11-14,26-30H2,1-3H3,(H,34,35)