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

Systemtic Name: 2-azanylpropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2,6-bis(azanyl)hexanoyl]cyclopentane-1-carboxylate Openeye Name: 2-aminopropanoyl 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-oxopropyl) ester IUPAC Name: 2-aminopropanoyl 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 alanyl ester Formula: C23H41N5O6 MolecularWeight: 483.60154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41N5O6/c1-13(2)12-17(28-15(4)29)19(31)22(18(30)16(26)8-5-6-11-24)9-7-10-23(22,27)21(33)34-20(32)14(3)25/h13-14,16-17H,5-12,24-27H2,1-4H3,(H,28,29)