3-[[(aminocarbonylamino)-azanyl-methylidene]amino]-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid

Systemtic Name: 3-[[(aminocarbonylamino)-azanyl-methylidene]amino]-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Openeye Name: 3-[[amino(ureido)methylene]amino]-2-[benzyloxycarbonyl(methyl)amino]propanoic acid CAS Name: 3-[[amino-(carbamoylamino)methylidene]amino]-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid IUPAC Name: 3-[[amino-(carbamoylamino)methylidene]amino]-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Traditional Name: 3-[[amino(ureido)methylene]amino]-2-[carbobenzoxy(methyl)amino]propionic acid Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN=C(N)NC(=O)N)C(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CN(C(CN=C(N)NC(=O)N)C(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H19N5O5/c1-19(14(23)24-8-9-5-3-2-4-6-9)10(11(20)21)7-17-12(15)18-13(16)22/h2-6,10H,7-8H2,1H3,(H,20,21)(H5,15,16,17,18,22)