3-[2-[azanyl(iminomethyl)amino]ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[azanyl(iminomethyl)amino]ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[2-[amino(methanimidoyl)amino]ethylsulfanyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[2-[amino(methanimidoyl)amino]ethylthio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[2-[amino(methanimidoyl)amino]ethylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[2-[amino(formimidoyl)amino]ethylthio]-2-(benzyloxycarbonylamino)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/c15-10-18(16)6-7-23-9-12(13(19)20)17-14(21)22-8-11-4-2-1-3-5-11/h1-5,10,12,15H,6-9,16H2,(H,17,21)(H,19,20)