Asp-cys-ser-thr-pro-cys-ser-gly-ser-trp-nh2

Structural Information

Molecular Formula

C₄₂H₆₁N₁₁O₁₆S₂

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C42H61N11O16S2/c1-19(57)25(10-21-12-44-24-7-4-3-6-22(21)24)47-37(64)27(15-55)46-32(59)13-45-36(63)26(14-54)48-40(67)30(18-71)51-41(68)31-8-5-9-53(31)42(69)34(20(2)58)52-38(65)28(16-56)49-39(66)29(17-70)50-35(62)23(43)11-33(60)61/h3-4,6-7,12,20,23,25-31,34,44,54-56,58,70-71H,5,8-11,13-18,43H2,1-2H3,(H,45,63)(H,46,59)(H,47,64)(H,48,67)(H,49,66)(H,50,62)(H,51,68)(H,52,65)(H,60,61)/t20-,23+,25+,26+,27+,28+,29+,30+,31+,34+/m1/s1

InChIKey

LCMPJMLYWLLZGR-GCJPYANWSA-N

Compound name

(3S)-3-amino-4-[[(2R)-1-[[(2S)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[(2R)-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 500556