Analyte Name

Rotigaptide

CAS Number

355151-12-1

Molecular Formula

C28 H39 N7 O9

Molecular Weight

617.651

Accurate Mass

617.281

SMILES

C[C@@H](NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]2CCCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C)C(=O)NCC(=O)N

InChI

InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,

IUPAC

(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat