Ac-asp-d-glu-leu-ile-cha-abu(me)-ala-ser-his-leu-nh2

Structural Information

Molecular Formula

C₅₅H₉₁N₁₃O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](CC)C(=O)N[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/C55H91N13O16/c1-11-30(7)45(67-51(80)37(21-29(5)6)63-48(77)35(18-19-43(71)72)61-50(79)39(24-44(73)74)60-32(9)70)54(83)65-40(22-33-16-14-13-15-17-33)55(84)68(10)42(12-2)53(82)59-31(8)47(76)66-41(26-69)52(81)64-38(23-34-25-57-27-58-34)49(78)62-36(46(56)75)20-28(3)4/h25,27-31,33,35-42,45,69H,11-24,26H2,1-10H3,(H2,56,75)(H,57,58)(H,59,82)(H,60,70)(H,61,79)(H,62,78)(H,63,77)(H,64,81)(H,65,83)(H,66,76)(H,67,80)(H,71,72)(H,73,74)/t30-,31-,35+,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1

InChIKey

UXWXSRCWKPCFPV-CGDKIPEMSA-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]amino]-1-oxobutan-2-yl]-methylamino]-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 485548