2-azanyl-2-(2-azanylethanoyl)-4-(2-azanyl-4-methyl-pentanoyl)-3,3-bis(2-azanyl-3-oxidanyl-butanoyl)-4-pyrrolidin-2-ylcarbonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-(2-azanylethanoyl)-4-(2-azanyl-4-methyl-pentanoyl)-3,3-bis(2-azanyl-3-oxidanyl-butanoyl)-4-pyrrolidin-2-ylcarbonyl-pentanedioic acid Openeye Name: 2-amino-2-(2-aminoacetyl)-3,3-bis(2-amino-3-hydroxy-butanoyl)-4-(2-amino-4-methyl-pentanoyl)-4-(pyrrolidine-2-carbonyl)pentanedioic acid CAS Name: 2-amino-3,3-bis(2-amino-3-hydroxy-1-oxobutyl)-4-(2-amino-4-methyl-1-oxopentyl)-2-(2-amino-1-oxoethyl)-4-[oxo(2-pyrrolidinyl)methyl]pentanedioic acid IUPAC Name: 2-amino-2-(2-aminoacetyl)-3,3-bis(2-amino-3-hydroxybutanoyl)-4-(2-amino-4-methylpentanoyl)-4-(pyrrolidine-2-carbonyl)pentanedioic acid Traditional Name: 2-amino-3,3-bis(2-amino-3-hydroxy-butanoyl)-4-(2-amino-4-methyl-pentanoyl)-2-glycyl-4-prolyl-glutaric acid Formula: C26H44N6O11 MolecularWeight: 616.66116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)C1CCCN1)(C(=O)O)C(C(=O)C(C(C)O)N)(C(=O)C(C(C)O)N)C(C(=O)CN)(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)C1CCCN1)(C(=O)O)C(C(=O)C(C(C)O)N)(C(=O)C(C(C)O)N)C(C(=O)CN)(C(=O)O)N)N

InChI

InChI=1S/C26H44N6O11/c1-10(2)8-13(28)18(36)24(22(40)41,19(37)14-6-5-7-32-14)25(20(38)16(29)11(3)33,21(39)17(30)12(4)34)26(31,23(42)43)15(35)9-27/h10-14,16-17,32-34H,5-9,27-31H2,1-4H3,(H,40,41)(H,42,43)