(3S)-3-{[(2S)-1-[(2S)-2-[(4-amino-3-chlorophenyl)formamido]-3,3-dimethylbutanoyl]pyrrolidin-2-yl]formamido}-3-cyanopropanoic acid

CAS: 1230628-71-3

Formula: C22H28ClN5O5

SMILES: CC(C)(C)[C@H](NC(=O)C1=CC=C(N)C(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C#N

IUPAC: (3S)-3-{[(2S)-1-[(2S)-2-[(4-amino-3-chlorophenyl)formamido]-3,3-dimethylbutanoyl]pyrrolidin-2-yl]formamido}-3-cyanopropanoic acid

InChI: InChI=1S/C22H28ClN5O5/c1-22(2,3)18(27-19(31)12-6-7-15(25)14(23)9-12)21(33)28-8-4-5-16(28)20(32)26-13(11-24)10-17(29)30/h6-7,9,13,16,18H,4-5,8,10,25H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t13-,16-,18+/m0/s1

Composition: C (55.29%), H (5.91%), Cl (7.42%), N (14.65%), O (16.74%)

Molar Mass: 477.95

Atom Count: 61

Heavy Atom Count: 33