2-azanylethanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2,6-bis(azanyl)hexanoyl]cyclopentane-1-carboxylate

Systemtic Name: 2-azanylethanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2,6-bis(azanyl)hexanoyl]cyclopentane-1-carboxylate Openeye Name: (2-aminoacetyl) 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2,6-diaminohexanoyl)cyclopentanecarboxylate CAS Name: 2-(2-acetamido-4-methyl-1-oxopentyl)-1-amino-2-(2,6-diamino-1-oxohexyl)-1-cyclopentanecarboxylic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 2-(2-acetamido-4-methylpentanoyl)-1-amino-2-(2,6-diaminohexanoyl)cyclopentane-1-carboxylate Traditional Name: 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2,6-diaminohexanoyl)cyclopentanecarboxylic acid glycyl ester Formula: C22H39N5O6 MolecularWeight: 469.57496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1(CCCC1(C(=O)OC(=O)CN)N)C(=O)C(CCCCN)N)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)C1(CCCC1(C(=O)OC(=O)CN)N)C(=O)C(CCCCN)N)NC(=O)C

InChI

InChI=1S/C22H39N5O6/c1-13(2)11-16(27-14(3)28)19(31)21(18(30)15(25)7-4-5-10-23)8-6-9-22(21,26)20(32)33-17(29)12-24/h13,15-16H,4-12,23-26H2,1-3H3,(H,27,28)