Vsqnypeaq

Structural Information

Molecular Formula

C₄₄H₆₆N₁₂O₁₇

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C44H66N12O17/c1-20(2)35(48)42(70)55-29(19-57)40(68)50-24(10-13-31(45)59)38(66)53-27(18-33(47)61)39(67)54-28(17-22-6-8-23(58)9-7-22)43(71)56-16-4-5-30(56)41(69)51-25(12-15-34(62)63)37(65)49-21(3)36(64)52-26(44(72)73)11-14-32(46)60/h6-9,20-21,24-30,35,57-58H,4-5,10-19,48H2,1-3H3,(H2,45,59)(H2,46,60)(H2,47,61)(H,49,65)(H,50,68)(H,51,69)(H,52,64)(H,53,66)(H,54,67)(H,55,70)(H,62,63)(H,72,73)/t21-,24-,25-,26-,27-,28-,29-,30-,35-/m0/s1

InChIKey

WERFZDFQOFRVQW-CARDSLERSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 476424