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

Systemtic Name: 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(1-phenylpentan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-[(1-ethyl-3-phenyl-propyl)carbamoyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-(diaminomethylideneamino)-2-[oxo-(1-phenylpentan-3-ylamino)methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-(diaminomethylideneamino)-2-(1-phenylpentan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-[(1-ethyl-3-phenyl-propyl)carbamoyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=CC=C1)NC(=O)C2C(C(C=C(O2)C(=O)O)N=C(N)N)NC(=O)C

Isomeric SMILES

CCC(CCC1=CC=CC=C1)NC(=O)C2C(C(C=C(O2)C(=O)O)N=C(N)N)NC(=O)C

InChI

InChI=1S/C21H29N5O5/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/h4-8,11,14-15,17-18H,3,9-10H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)(H4,22,23,26)