{4-[(2S)-2-[(2S)-3-methyl-2-{[(prop-2-en-1-yloxy)carbonyl]amino}butanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate

CAS: 1884578-27-1

Formula: C26H30N4O9

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

IUPAC: {4-[(2S)-2-[(2S)-3-methyl-2-{[(prop-2-en-1-yloxy)carbonyl]amino}butanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate

InChI: InChI=1S/C26H30N4O9/c1-5-14-37-25(33)29-22(16(2)3)24(32)27-17(4)23(31)28-19-8-6-18(7-9-19)15-38-26(34)39-21-12-10-20(11-13-21)30(35)36/h5-13,16-17,22H,1,14-15H2,2-4H3,(H,27,32)(H,28,31)(H,29,33)/t17-,22-/m0/s1

Composition: C (57.56%), H (5.57%), N (10.33%), O (26.54%)

Molar Mass: 542.545

Atom Count: 69

Heavy Atom Count: 39