2-azanylpropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-ethyl-cyclopentane-1-carboxylate

Systemtic Name: 2-azanylpropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-ethyl-cyclopentane-1-carboxylate Openeye Name: 2-aminopropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2-amino-5-guanidino-pentanoyl)-3-ethyl-cyclopentanecarboxylate CAS Name: 2-(2-acetamido-4-methyl-1-oxopentyl)-1-amino-2-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-3-ethyl-1-cyclopentanecarboxylic acid (2-amino-1-oxopropyl) ester IUPAC Name: 2-aminopropanoyl 2-(2-acetamido-4-methylpentanoyl)-1-amino-2-[2-amino-5-(diaminomethylideneamino)pentanoyl]-3-ethylcyclopentane-1-carboxylate Traditional Name: 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2-amino-5-guanidino-pentanoyl)-3-ethyl-cyclopentanecarboxylic acid alanyl ester Formula: C25H45N7O6 MolecularWeight: 539.6681

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C1(C(=O)C(CCCN=C(N)N)N)C(=O)C(CC(C)C)NC(=O)C)(C(=O)OC(=O)C(C)N)N

Isomeric SMILES

CCC1CCC(C1(C(=O)C(CCCN=C(N)N)N)C(=O)C(CC(C)C)NC(=O)C)(C(=O)OC(=O)C(C)N)N

InChI

InChI=1S/C25H45N7O6/c1-6-16-9-10-24(30,22(37)38-21(36)14(4)26)25(16,19(34)17(27)8-7-11-31-23(28)29)20(35)18(12-13(2)3)32-15(5)33/h13-14,16-18H,6-12,26-27,30H2,1-5H3,(H,32,33)(H4,28,29,31)