Aa514

Structural Information

Molecular Formula

C₅₀H₇₀N₁₀O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)C)O

InChI

InChI=1S/C50H70N10O17/c1-24(42(69)51-25(2)44(71)56-35(21-31-12-9-8-10-13-31)45(72)52-26(3)43(70)55-34(27(4)62)20-32-15-17-33(66)18-16-32)53-48(75)38-14-11-19-60(38)50(77)41(29(6)64)59-49(76)40(28(5)63)58-46(73)36(22-39(67)68)57-47(74)37(23-61)54-30(7)65/h8-10,12-13,15-18,24-26,28-29,34-38,40-41,61,63-64,66H,11,14,19-23H2,1-7H3,(H,51,69)(H,52,72)(H,53,75)(H,54,65)(H,55,70)(H,56,71)(H,57,74)(H,58,73)(H,59,76)(H,67,68)/t24-,25-,26-,28+,29+,34-,35-,36-,37-,38-,40-,41-/m0/s1

InChIKey

XFGVMJDRWQSFAA-JHZWGBLHSA-N

Compound name

(3S)-3-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 5481028