ethyl (3S,4R)-3-(1-acetamido-2-propyl-pentyl)-4-[bis(azanyl)methylideneamino]cyclopentene-1-carboxylate

Systemtic Name: ethyl (3S,4R)-3-(1-acetamido-2-propyl-pentyl)-4-[bis(azanyl)methylideneamino]cyclopentene-1-carboxylate Openeye Name: ethyl (3S,4R)-3-(1-acetamido-2-propyl-pentyl)-4-guanidino-cyclopentene-1-carboxylate CAS Name: (3S,4R)-3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)-1-cyclopentenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentene-1-carboxylate Traditional Name: (3S,4R)-3-(1-acetamido-2-propyl-pentyl)-4-guanidino-cyclopentene-1-carboxylic acid ethyl ester Formula: C19H34N4O3 MolecularWeight: 366.49826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(C1C=C(CC1N=C(N)N)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCC(CCC)C([C@@H]1C=C(C[C@H]1N=C(N)N)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H34N4O3/c1-5-8-13(9-6-2)17(22-12(4)24)15-10-14(18(25)26-7-3)11-16(15)23-19(20)21/h10,13,15-17H,5-9,11H2,1-4H3,(H,22,24)(H4,20,21,23)/t15-,16-,17?/m1/s1