(2S,4R)-1-[(2S)-2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

CAS: 2010159-60-9

Formula: C28H41N5O6S

SMILES: CC1=C(SC=N1)C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN)C(C)(C)C)C=C1

IUPAC: (2S,4R)-1-[(2S)-2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

InChI: InChI=1S/C28H41N5O6S/c1-18-24(40-17-31-18)20-7-5-19(6-8-20)14-30-26(36)22-13-21(34)15-33(22)27(37)25(28(2,3)4)32-23(35)16-39-12-11-38-10-9-29/h5-8,17,21-22,25,34H,9-16,29H2,1-4H3,(H,30,36)(H,32,35)/t21-,22+,25-/m1/s1

Composition: C (58.41%), H (7.18%), N (12.16%), O (16.67%), S (5.57%)

Molar Mass: 575.73

Atom Count: 81

Heavy Atom Count: 40