Hhestdepse

Structural Information

Molecular Formula

C₄₆H₆₆N₁₄O₂₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CN=CN3)N)O

InChI

InChI=1S/C46H66N14O22/c1-20(63)36(59-42(77)30(17-62)57-38(73)24(4-7-32(64)65)52-39(74)27(12-22-15-49-19-51-22)55-37(72)23(47)11-21-14-48-18-50-21)44(79)56-28(13-35(70)71)40(75)53-25(5-8-33(66)67)45(80)60-10-2-3-31(60)43(78)58-29(16-61)41(76)54-26(46(81)82)6-9-34(68)69/h14-15,18-20,23-31,36,61-63H,2-13,16-17,47H2,1H3,(H,48,50)(H,49,51)(H,52,74)(H,53,75)(H,54,76)(H,55,72)(H,56,79)(H,57,73)(H,58,78)(H,59,77)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,81,82)/t20-,23+,24+,25+,26+,27+,28+,29+,30+,31+,36+/m1/s1

InChIKey

UORKLUFPFNBNMF-JEVMOVMWSA-N

Compound name

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

Related CIDs

• CID 49777384