{4-[(2S)-2-[(2S)-2-(6-azidohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

CAS: 1613321-01-9

Formula: C31H41N9O9

SMILES: CC(C)[C@H](NC(=O)CCCCCN=[N+]=[N-])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-[(2S)-2-[(2S)-2-(6-azidohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

InChI: InChI=1S/C31H41N9O9/c1-20(2)27(38-26(41)8-4-3-5-18-35-39-33)29(43)37-25(7-6-17-34-30(32)44)28(42)36-22-11-9-21(10-12-22)19-48-31(45)49-24-15-13-23(14-16-24)40(46)47/h9-16,20,25,27H,3-8,17-19H2,1-2H3,(H,36,42)(H,37,43)(H,38,41)(H3,32,34,44)/t25-,27-/m0/s1

Composition: C (54.46%), H (6.04%), N (18.44%), O (21.06%)

Molar Mass: 683.723

Atom Count: 90

Heavy Atom Count: 49