Nom de l'analyte

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

Formule moléculaire

C62 H88 N16 O14

Poids moléculaire

1281.461

Masse précise

1280.667

SMILES

CCNC(=O)[C@H]1CCCN1C(=O)C(CCCNC(=N)NC(=O)C(C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6

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

IUPAC

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[1-[(2R)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-5-[[N-(2-hydroxypropanoyl)carbamimidoyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Température d'expédition

Room Temperature

Pays d'origine

CANADA

Présentation du produit

Neat