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

Systemtic Name: 2-azanyl-2-(2-azanylethanoyl)-4-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-3-oxidanyl-butanoyl)-3-(2-azanyl-3-oxidanyl-propanoyl)-4-pyrrolidin-2-ylcarbonyl-pentanedioic acid Openeye Name: 2-amino-2-(2-aminoacetyl)-3-(2-amino-3-hydroxy-butanoyl)-3-(2-amino-3-hydroxy-propanoyl)-4-(2-amino-4-methyl-pentanoyl)-4-(pyrrolidine-2-carbonyl)pentanedioic acid CAS Name: 2-amino-3-(2-amino-3-hydroxy-1-oxobutyl)-3-(2-amino-3-hydroxy-1-oxopropyl)-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-(2-amino-3-hydroxybutanoyl)-3-(2-amino-3-hydroxypropanoyl)-4-(2-amino-4-methylpentanoyl)-4-(pyrrolidine-2-carbonyl)pentanedioic acid Traditional Name: 2-amino-3-(2-amino-3-hydroxy-butanoyl)-3-(2-amino-3-hydroxy-propanoyl)-4-(2-amino-4-methyl-pentanoyl)-2-glycyl-4-prolyl-glutaric acid Formula: C25H42N6O11 MolecularWeight: 602.63458

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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(CO)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(CO)N)(C(=O)C(C(C)O)N)C(C(=O)CN)(C(=O)O)N)N

InChI

InChI=1S/C25H42N6O11/c1-10(2)7-12(27)17(35)23(21(39)40,19(37)14-5-4-6-31-14)24(18(36)13(28)9-32,20(38)16(29)11(3)33)25(30,22(41)42)15(34)8-26/h10-14,16,31-33H,4-9,26-30H2,1-3H3,(H,39,40)(H,41,42)