Nombre del analito

N-(tert-Butoxycarbonyl)tocinoic Acid

Número CAS

39801-49-5

Fórmula molecular

C35 H52 N8 O12 S2

Peso molecular

840.964

Masa exacta

840.315

SMILES

CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H52N8O12S2/c1-6-17(2)27-32(51)38-20(11-12-25(36)45)28(47)40-22(14-26(37)46)29(48)41-24(33(52)53)16-57-56-15-23(42-34(54)55-35(3,4)5)31(50)39-21(30(49)43-27)13-18-7-9-19(44)10-8-18/h7-10,17,20-24,27,44H,6,11-16H2,1-5H3,(H2,36,45)(H2,37,46)(H,38,51)(H,39,50)(H,40,47)(H,41,48)(H,42,54)(H,43,49)(H,52,53)/t17-,20-,21-,22-,23-,24-,27?/m0/s1

IUPAC

(4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-19-[(2-methylpropan-2-yl)oxycarbonylamino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat