(2R)-N-(ethyl-D₅)-1-(Nw-(2-hydroxypropanoyl)-N2-(5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-D-tyrosyl-L-leucyl-D-leucylarginyl)pyrrolidine-2-carboxamide

Analyte Name

(2R)-N-(ethyl-D5)-1-(Nw-(2-hydroxypropanoyl)-N2-(5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-D-tyrosyl-L-leucyl-D-leucylarginyl)pyrrolidine-2-carboxamide

Molecular Formula

C62H83D5N16O14

Molecular Weight

1286.51

Accurate Mass

1285.7

SMILES

O=C([C@H](CC1=CN=CN1)NC(C2NC(CC2)=O)=O)N[C@H](C(N[C@@H](CO)C(N[C@H](CC3=CC=C(O)C=C3)C(N[C@@H](CC(C)C)C(N[C@H](CC(C)C)C(NC(CCCNC(NC(C(C)O)=O)=N)C(N4CCC[C@@H]4C(NC([2H])([2H])C([2H])([2H])[2H])=O)=O)=O)=O)=O)=O)=O)CC5=CNC6=C5C=CC=C6

InChI

InChI=1S/C62H88N16O14/c1-7-65-60(91)50-15-11-23-78(50)61(92)43(14-10-22-66-62(63)77-52(83)35(6)80)70-54(85)44(24-33(2)3)71-55(86)45(25-34(4)5)72-56(87)46(26-36-16-18-39(81)19-17-36)73-59(90)49(31-79)76-57(88)47(27-37-29-67-41-13-9-8-12-40(37)41)74-58(89)48(28-38-30-64-32-68-38)75-53(84)42-20-21-51(82)69-42/h8-9,12-13,16-19,29-30,32-35,42-50,67,79-81H,7,10-11,14-15,20-28,31H2,1-6H3,(H,64,68)(H,65,91)(H,69,82)(H,70,85)(H,71,86)(H,72,87)(H,73,90)(H,74,89)(H,75,84)(H,76,88)(H3,63,66,77,83)/t35?,42?,43?,44-,45+,46-,47+,48+,49+,50-/m1/s1/i1D3,7D2

IUPAC

(2R)-N-(ethyl-d5)-1-(Nw-(2-hydroxypropanoyl)-N2-(5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-D-tyrosyl-L-leucyl-D-leucylarginyl)pyrrolidine-2-carboxamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat