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

Systemtic Name: 2-azanylpropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-azanyl-2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]cyclopentane-1-carboxylate Openeye Name: 2-aminopropanoyl 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2-amino-5-guanidino-pentanoyl)cyclopentanecarboxylate CAS Name: 2-(2-acetamido-4-methyl-1-oxopentyl)-1-amino-2-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-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]cyclopentane-1-carboxylate Traditional Name: 2-(2-acetamido-4-methyl-pentanoyl)-1-amino-2-(2-amino-5-guanidino-pentanoyl)cyclopentanecarboxylic acid alanyl ester Formula: C23H41N7O6 MolecularWeight: 511.61494

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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(CCCN=C(N)N)N)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H41N7O6/c1-12(2)11-16(30-14(4)31)18(33)22(17(32)15(25)7-5-10-29-21(26)27)8-6-9-23(22,28)20(35)36-19(34)13(3)24/h12-13,15-16H,5-11,24-25,28H2,1-4H3,(H,30,31)(H4,26,27,29)