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

Structural Information

Molecular Formula

C₆₅H₉₅N₁₃O₁₆

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](C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C65H95N13O16/c1-10-37(5)54(75-63(92)55(53(41-23-17-13-18-24-41)42-25-19-14-20-26-42)76-58(87)44(27-28-51(81)82)71-60(89)47(32-52(83)84)70-39(7)80)65(94)78(9)50(30-40-21-15-12-16-22-40)64(93)77(8)49(11-2)62(91)69-38(6)57(86)74-48(34-79)61(90)73-46(31-43-33-67-35-68-43)59(88)72-45(56(66)85)29-36(3)4/h13-14,17-20,23-26,33,35-38,40,44-50,53-55,79H,10-12,15-16,21-22,27-32,34H2,1-9H3,(H2,66,85)(H,67,68)(H,69,91)(H,70,80)(H,71,89)(H,72,88)(H,73,90)(H,74,86)(H,75,92)(H,76,87)(H,81,82)(H,83,84)/t37-,38-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1

InChIKey

UDZMBEODXKSSTF-CQISMJMVSA-N

Compound name

(4S)-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]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5482373