Analyte Name

(3S,8R,13R,18S)-1,20-Bis(1,1-dimethylethoxy)-1,6,15,20-tetraoxo-10,11-dithia-2,7,14,19-tetraazaeicosane-3,8,13,18-tetracarboxylic Acid 3,8,13,18-Tetrakis(1,1-dimethylethyl) Ester

CAS Number

2112809-05-7

Molecular Formula

C42 H74 N4 O14 S2

Molecular Weight

923.185

Accurate Mass

922.464

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C42H74N4O14S2/c1-37(2,3)55-31(49)25(45-35(53)59-41(13,14)15)19-21-29(47)43-27(33(51)57-39(7,8)9)23-61-62-24-28(34(52)58-40(10,11)12)44-30(48)22-20-26(32(50)56-38(4,5)6)46-36(54)60-42(16,17)18/h25-28H,19-24H2,1-18H3,(H,43,47)(H,44,48)(H,45,53)(H,46,54)/t25-,26-,27-,28-/m0/s1

IUPAC

tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat