Tmdhheatde

Structural Information

Molecular Formula

C₄₆H₆₈N₁₄O₂₁S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O

InChI

InChI=1S/C46H68N14O21S/c1-19(37(71)60-36(21(3)62)45(79)59-30(14-34(69)70)42(76)55-26(46(80)81)6-8-32(65)66)52-38(72)24(5-7-31(63)64)53-40(74)27(11-22-15-48-17-50-22)56-41(75)28(12-23-16-49-18-51-23)57-43(77)29(13-33(67)68)58-39(73)25(9-10-82-4)54-44(78)35(47)20(2)61/h15-21,24-30,35-36,61-62H,5-14,47H2,1-4H3,(H,48,50)(H,49,51)(H,52,72)(H,53,74)(H,54,78)(H,55,76)(H,56,75)(H,57,77)(H,58,73)(H,59,79)(H,60,71)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,80,81)/t19-,20+,21+,24-,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1

InChIKey

UKMRPCMCIMHGQJ-BKGHPGFOSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 49777383