182253-77-6

Structural Information

Molecular Formula

C₄₅H₇₉N₁₁O₁₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C45H79N11O15/c1-19(2)16-27(40(65)52-29(18-31(47)59)41(66)54-34(22(7)8)43(68)56-36(24(11)57)44(69)55-35(23(9)10)45(70)71)51-38(63)26(13-15-32(60)61)49-37(62)25(12-14-30(46)58)50-39(64)28(17-20(3)4)53-42(67)33(48)21(5)6/h19-29,33-36,57H,12-18,48H2,1-11H3,(H2,46,58)(H2,47,59)(H,49,62)(H,50,64)(H,51,63)(H,52,65)(H,53,67)(H,54,66)(H,55,69)(H,56,68)(H,60,61)(H,70,71)/t24-,25+,26+,27+,28+,29+,33+,34+,35+,36+/m1/s1

InChIKey

WOACUGNMTZAEJZ-GXLXRQKGSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 11672494