2-(2-azanylethanoylamino)pentanedioic acid; 2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-(2-azanylethanoylamino)pentanedioic acid; 2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2-aminoacetyl)amino]pentanedioic acid; 2-[(2-amino-3-methyl-pentanoyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[(2-amino-3-methyl-1-oxopentyl)amino]-3-hydroxypropanoic acid; 2-[(2-amino-1-oxoethyl)amino]pentanedioic acid IUPAC Name: 2-[(2-aminoacetyl)amino]pentanedioic acid; 2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(2-amino-3-methyl-pentanoyl)amino]-3-hydroxy-propionic acid; 2-(glycylamino)glutaric acid Formula: C23H42N6O14 MolecularWeight: 626.61138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)O)N.C(CC(=O)O)C(C(=O)O)NC(=O)CN.C(CC(=O)O)C(C(=O)O)NC(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)O)N.C(CC(=O)O)C(C(=O)O)NC(=O)CN.C(CC(=O)O)C(C(=O)O)NC(=O)CN

InChI

InChI=1S/C9H18N2O4.2C7H12N2O5/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15;2*8-3-5(10)9-4(7(13)14)1-2-6(11)12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15);2*4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)