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

Structural Information

Molecular Formula

C₅₆H₉₃N₁₃O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[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/C56H93N13O16/c1-12-31(7)46(67-52(81)38(22-30(5)6)64-49(78)36(19-20-44(72)73)62-51(80)40(25-45(74)75)61-33(9)71)56(85)69(11)43(23-34-17-15-14-16-18-34)55(84)68(10)42(13-2)54(83)60-32(8)48(77)66-41(27-70)53(82)65-39(24-35-26-58-28-59-35)50(79)63-37(47(57)76)21-29(3)4/h26,28-32,34,36-43,46,70H,12-25,27H2,1-11H3,(H2,57,76)(H,58,59)(H,60,83)(H,61,71)(H,62,80)(H,63,79)(H,64,78)(H,65,82)(H,66,77)(H,67,81)(H,72,73)(H,74,75)/t31-,32-,36+,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1

InChIKey

ZVKBOGHJIALRAJ-WMKQRJFBSA-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]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485549