ethyl (1S,2S,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-[(N'-methylcarbamimidoyl)amino]-2-oxidanyl-cyclopentane-1-carboxylate

Systemtic Name: ethyl (1S,2S,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-[(N'-methylcarbamimidoyl)amino]-2-oxidanyl-cyclopentane-1-carboxylate Openeye Name: ethyl (1S,2S,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-2-hydroxy-4-[(N'-methylcarbamimidoyl)amino]cyclopentanecarboxylate CAS Name: (1S,2S,3R,4R)-3-(1-acetamido-2-ethylbutyl)-4-[[amino(methylimino)methyl]amino]-2-hydroxy-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,3R,4R)-3-(1-acetamido-2-ethylbutyl)-2-hydroxy-4-[(N'-methylcarbamimidoyl)amino]cyclopentane-1-carboxylate Traditional Name: (1S,2S,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-2-hydroxy-4-[(N'-methylamidino)amino]cyclopentanecarboxylic acid ethyl ester Formula: C18H34N4O4 MolecularWeight: 370.48696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C(CC(C1O)C(=O)OCC)NC(=NC)N)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O4/c1-6-11(7-2)15(21-10(4)23)14-13(22-18(19)20-5)9-12(16(14)24)17(25)26-8-3/h11-16,24H,6-9H2,1-5H3,(H,21,23)(H3,19,20,22)/t12-,13+,14+,15?,16+/m0/s1