3-acetamido-4-[bis(azanyl)methylideneamino]-2-(1-cyclohexylpentan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(1-cyclohexylpentan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-[(3-cyclohexyl-1-ethyl-propyl)carbamoyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[(1-cyclohexylpentan-3-ylamino)-oxomethyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-cyclohexylpentan-3-ylcarbamoyl)-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-[(3-cyclohexyl-1-ethyl-propyl)carbamoyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H35N5O5 MolecularWeight: 437.5331

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1CCCCC1)NC(=O)C2C(C(C=C(O2)C(=O)O)N=C(N)N)NC(=O)C

Isomeric SMILES

CCC(CCC1CCCCC1)NC(=O)C2C(C(C=C(O2)C(=O)O)N=C(N)N)NC(=O)C

InChI

InChI=1S/C21H35N5O5/c1-3-14(10-9-13-7-5-4-6-8-13)25-19(28)18-17(24-12(2)27)15(26-21(22)23)11-16(31-18)20(29)30/h11,13-15,17-18H,3-10H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)(H4,22,23,26)