Ac-asp-d-glu-leu-ile-beta-cyclohexylalanine-cys(me)-ala-ser-his-leu-nh2

Structural Information

Molecular Formula

C₅₄H₈₉N₁₃O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](CS)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/C54H89N13O16S/c1-10-29(6)44(66-50(79)36(19-28(4)5)62-47(76)34(16-17-42(70)71)60-49(78)38(22-43(72)73)59-31(8)69)53(82)64-39(20-32-14-12-11-13-15-32)54(83)67(9)41(25-84)52(81)58-30(7)46(75)65-40(24-68)51(80)63-37(21-33-23-56-26-57-33)48(77)61-35(45(55)74)18-27(2)3/h23,26-30,32,34-41,44,68,84H,10-22,24-25H2,1-9H3,(H2,55,74)(H,56,57)(H,58,81)(H,59,69)(H,60,78)(H,61,77)(H,62,76)(H,63,80)(H,64,82)(H,65,75)(H,66,79)(H,70,71)(H,72,73)/t29-,30-,34+,35-,36-,37-,38-,39-,40-,41-,44-/m0/s1

InChIKey

GZRBTTUIFCFDMD-KNZUCBATSA-N

Compound name

(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-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-oxo-3-sulfanylpropan-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 485542