C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)N

Nombre: 26a

IUPAC: benzyl N-[(6S,8R)-8-amino-8-methyl-4-oxo-6-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-6,7-dihydropyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate

SMILES: C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)N

Canonical SMILES: CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)NC(=O)OCC5=CC=CC=C5)N

Fórmula molecular: C36H37N7O6

Masa molecular: 663.70

InChIKey: ZPWCNLZXVISXEU-CZZIKKGSSA-N

InChI:

InChI=1S/C36H37N7O6/c1-3-18-42(35(47)49-23-26-12-8-5-9-13-26)29-21-40-33-36(2,38)19-28(43(33)32(29)45)31(44)39-20-24-14-16-27(17-15-24)30(37)41-34(46)48-22-25-10-6-4-7-11-25/h3-17,21,28H,1,18-20,22-23,38H2,2H3,(H,39,44)(H2,37,41,46)/t28-,36+/m0/s1

PubChem CID: 145857227 →

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