3-[[1-[4-[bis(azanyl)methylideneamino]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-[4-[bis(azanyl)methylideneamino]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(4-guanidinobutylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(4-guanidinobutylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)