3-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-guanidinoethylsulfanyl)propanoic acid CAS Name: 3-[2-(diaminomethylideneamino)ethylthio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[2-(diaminomethylideneamino)ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-guanidinoethylthio)propionic acid Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCCN=C(N)N)C(=O)O

InChI

InChI=1S/C14H20N4O4S/c15-13(16)17-6-7-23-9-11(12(19)20)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,21)(H,19,20)(H4,15,16,17)