Ghqaamemlke

Structural Information

Molecular Formula

C₅₁H₈₅N₁₅O₁₇S₂

SMILES

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

InChI

InChI=1S/C51H85N15O17S2/c1-26(2)21-36(49(80)61-30(9-7-8-18-52)45(76)65-35(51(82)83)12-15-41(71)72)66-48(79)34(17-20-85-6)64-46(77)32(11-14-40(69)70)62-47(78)33(16-19-84-5)60-43(74)28(4)57-42(73)27(3)58-44(75)31(10-13-38(54)67)63-50(81)37(59-39(68)23-53)22-29-24-55-25-56-29/h24-28,30-37H,7-23,52-53H2,1-6H3,(H2,54,67)(H,55,56)(H,57,73)(H,58,75)(H,59,68)(H,60,74)(H,61,80)(H,62,78)(H,63,81)(H,64,77)(H,65,76)(H,66,79)(H,69,70)(H,71,72)(H,82,83)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1

InChIKey

LMYRMZCIVJDSCP-OWYYFYIDSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]pentanedioic acid

Related CIDs

• CID 5479206