Ac-aetyytd-nh2

Structural Information

Molecular Formula

C₄₀H₅₄N₈O₁₆

SMILES

C[C@H](C(C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)C)O

InChI

InChI=1S/C40H54N8O16/c1-18(42-21(4)51)35(59)43-26(13-14-30(54)55)36(60)47-33(20(3)50)40(64)46-28(15-22-5-9-24(52)10-6-22)37(61)45-29(16-23-7-11-25(53)12-8-23)38(62)48-32(19(2)49)39(63)44-27(34(41)58)17-31(56)57/h5-12,18-20,26-29,32-33,49-50,52-53H,13-17H2,1-4H3,(H2,41,58)(H,42,51)(H,43,59)(H,44,63)(H,45,61)(H,46,64)(H,47,60)(H,48,62)(H,54,55)(H,56,57)/t18-,19+,20+,26-,27-,28-,29-,32?,33?/m0/s1

InChIKey

OMJBYYOERJBDPE-UKKCTGFVSA-N

Compound name

(4S)-4-[[(2S)-2-acetamidopropanoyl]amino]-5-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 473347