(phenylmethyl) (2S)-6-(3-aminocarbonylpyrazin-1-ium-1-yl)-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) (2S)-6-(3-aminocarbonylpyrazin-1-ium-1-yl)-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-6-(3-carbamoylpyrazin-1-ium-1-yl)hexanoate CAS Name: (2S)-6-(3-carbamoyl-1-pyrazin-1-iumyl)-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-(3-carbamoylpyrazin-1-ium-1-yl)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(3-carbamoylpyrazin-1-ium-1-yl)hexanoic acid benzyl ester Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCC[N+]2=CC(=NC=C2)C(=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCC[N+]2=CC(=NC=C2)C(=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O5/c27-24(31)23-17-30(16-14-28-23)15-8-7-13-22(25(32)34-18-20-9-3-1-4-10-20)29-26(33)35-19-21-11-5-2-6-12-21/h1-6,9-12,14,16-17,22H,7-8,13,15,18-19H2,(H2-,27,29,31,33)/p+1/t22-/m0/s1