3-[2-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[2-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[2-(2-guanidino-2-oxo-ethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoic acid CAS Name: 3-[2-[2-(diaminomethylideneamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-[2-(diaminomethylideneamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[2-(2-guanidino-2-keto-ethyl)-3-keto-4H-1,4-benzoxazin-6-yl]propionic acid Formula: C19H25N5O7 MolecularWeight: 435.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)N=C(N)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)N=C(N)N)C(=O)O

InChI

InChI=1S/C19H25N5O7/c1-19(2,3)31-18(29)23-11(16(27)28)7-9-4-5-12-10(6-9)22-15(26)13(30-12)8-14(25)24-17(20)21/h4-6,11,13H,7-8H2,1-3H3,(H,22,26)(H,23,29)(H,27,28)(H4,20,21,24,25)