Nh2-his-thr-asp-ala-cys-cys-arg-thr-his-asp-oh

Structural Information

Molecular Formula

C₄₃H₆₇N₁₇O₁₇S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CN=CN2)N)O

InChI

InChI=1S/C43H67N17O17S2/c1-17(52-36(70)25(9-29(63)64)55-40(74)31(18(2)61)59-34(68)22(44)7-20-11-47-15-50-20)33(67)57-27(13-78)39(73)58-28(14-79)38(72)53-23(5-4-6-49-43(45)46)35(69)60-32(19(3)62)41(75)54-24(8-21-12-48-16-51-21)37(71)56-26(42(76)77)10-30(65)66/h11-12,15-19,22-28,31-32,61-62,78-79H,4-10,13-14,44H2,1-3H3,(H,47,50)(H,48,51)(H,52,70)(H,53,72)(H,54,75)(H,55,74)(H,56,71)(H,57,67)(H,58,73)(H,59,68)(H,60,69)(H,63,64)(H,65,66)(H,76,77)(H4,45,46,49)/t17-,18+,19+,22-,23-,24-,25-,26-,27-,28-,31-,32-/m0/s1

InChIKey

VFGUXAUBLXMDDB-OSRCXKSNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 486776