Ac-asp-(d)glu-leu-ile-beta-cyclohexylalanine-alpha- aminobutyric acid-(methyl)ala-ser-his-leu-nh2

Structural Information

Molecular Formula

C₅₅H₈₉F₂N₁₃O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C55H89F2N13O16/c1-10-29(6)45(69-52(83)36(19-28(4)5)64-48(79)34(16-17-43(73)74)62-51(82)39(23-44(75)76)61-31(8)72)54(85)66-37(20-32-14-12-11-13-15-32)49(80)67-40(22-42(56)57)55(86)70(9)30(7)47(78)68-41(25-71)53(84)65-38(21-33-24-59-26-60-33)50(81)63-35(46(58)77)18-27(2)3/h24,26-30,32,34-42,45,71H,10-23,25H2,1-9H3,(H2,58,77)(H,59,60)(H,61,72)(H,62,82)(H,63,81)(H,64,79)(H,65,84)(H,66,85)(H,67,80)(H,68,78)(H,69,83)(H,73,74)(H,75,76)/t29-,30-,34+,35-,36-,37-,38-,39-,40-,41-,45-/m0/s1

InChIKey

GTCZMLRTVFCRHU-NBKKLAPGSA-N

Compound name

(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-4,4-difluoro-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5493683