3-[4-[bis(azanyl)methylideneamino]butylcarbamoyl]-3-(propanoylamino)-2-propan-2-yl-oxirane-2-carboxylic acid

Systemtic Name: 3-[4-[bis(azanyl)methylideneamino]butylcarbamoyl]-3-(propanoylamino)-2-propan-2-yl-oxirane-2-carboxylic acid Openeye Name: 3-(4-guanidinobutylcarbamoyl)-2-isopropyl-3-(propanoylamino)oxirane-2-carboxylic acid CAS Name: 3-[[4-(diaminomethylideneamino)butylamino]-oxomethyl]-3-(1-oxopropylamino)-2-propan-2-yl-2-oxiranecarboxylic acid IUPAC Name: 3-[4-(diaminomethylideneamino)butylcarbamoyl]-3-(propanoylamino)-2-propan-2-yloxirane-2-carboxylic acid Traditional Name: 3-(4-guanidinobutylcarbamoyl)-2-isopropyl-3-propionamido-oxirane-2-carboxylic acid Formula: C15H27N5O5 MolecularWeight: 357.40538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C(O1)(C(C)C)C(=O)O)C(=O)NCCCCN=C(N)N

Isomeric SMILES

CCC(=O)NC1(C(O1)(C(C)C)C(=O)O)C(=O)NCCCCN=C(N)N

InChI

InChI=1S/C15H27N5O5/c1-4-10(21)20-15(14(25-15,9(2)3)12(23)24)11(22)18-7-5-6-8-19-13(16)17/h9H,4-8H2,1-3H3,(H,18,22)(H,20,21)(H,23,24)(H4,16,17,19)