(phenylmethyl) 2-[[nitroso(prop-2-ynyl)carbamoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 2-[[nitroso(prop-2-ynyl)carbamoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 6-(benzyloxycarbonylamino)-2-[[nitroso(prop-2-ynyl)carbamoyl]amino]hexanoate CAS Name: 2-[[[nitroso(prop-2-ynyl)amino]-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[nitroso(prop-2-ynyl)carbamoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[[nitroso(propargyl)carbamoyl]amino]hexanoic acid benzyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O

Isomeric SMILES

C#CCN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O

InChI

InChI=1S/C25H28N4O6/c1-2-17-29(28-33)24(31)27-22(23(30)34-18-20-11-5-3-6-12-20)15-9-10-16-26-25(32)35-19-21-13-7-4-8-14-21/h1,3-8,11-14,22H,9-10,15-19H2,(H,26,32)(H,27,31)