{4-[(2R)-2-[(2S)-2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

CAS: 2280920-96-7

Formula: C36H44N6O10

SMILES: CC(C)[C@H](NC(=O)OCC1C2CCC#CCCC12)C(=O)N[C@H](CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: {4-[(2R)-2-[(2S)-2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

InChI: InChI=1S/C36H44N6O10/c1-22(2)31(41-35(46)50-21-29-27-8-5-3-4-6-9-28(27)29)33(44)40-30(10-7-19-38-34(37)45)32(43)39-24-13-11-23(12-14-24)20-51-36(47)52-26-17-15-25(16-18-26)42(48)49/h11-18,22,27-31H,5-10,19-21H2,1-2H3,(H,39,43)(H,40,44)(H,41,46)(H3,37,38,4

Composition: C (59.99%), H (6.15%), N (11.66%), O (22.20%)

Molar Mass: 720.78

Atom Count: 96

Heavy Atom Count: 52