(phenylmethyl) 2-[(7S)-2-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-3,6,9-tris(oxidanylidene)spiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]-7-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(7S)-2-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-3,6,9-tris(oxidanylidene)spiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]-7-yl]ethanoate Openeye Name: benzyl 2-[(7S)-2-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-3,6,9-trioxo-spiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]-7-yl]acetate CAS Name: 2-[(7S)-2-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-3,6,9-trioxo-7-spiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(7S)-2-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-3,6,9-trioxospiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]-7-yl]acetate Traditional Name: 2-[(7S)-2-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-3,6,9-triketo-spiro[4,7,8,9a-tetrahydropyrazino[1,2-a]pyrazine-1,1'-cyclopropane]-7-yl]acetic acid benzyl ester Formula: C38H40N6O9 MolecularWeight: 724.759

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Descriptors Computed from Structure

Canonical SMILES:

C1CC12C3C(=O)NC(C(=O)N3CC(=O)N2CCCN=C(NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)CC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CC12C3C(=O)N[C@H](C(=O)N3CC(=O)N2CCCN=C(NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)CC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C38H40N6O9/c45-30-22-43-32(33(47)40-29(34(43)48)21-31(46)51-23-26-11-4-1-5-12-26)38(17-18-38)44(30)20-10-19-39-35(41-36(49)52-24-27-13-6-2-7-14-27)42-37(50)53-25-28-15-8-3-9-16-28/h1-9,11-16,29,32H,10,17-25H2,(H,40,47)(H2,39,41,42,49,50)/t29-,32?/m0/s1