Ac-asp-glu-dif-ile-cha-cys-pro-cha-ser-leu-nh2

Structural Information

Molecular Formula

C₆₅H₉₇N₁₁O₁₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C65H97N11O15S/c1-5-38(4)54(74-64(90)55(53(41-23-14-8-15-24-41)42-25-16-9-17-26-42)75-58(84)44(28-29-51(78)79)68-57(83)43(66)34-52(80)81)63(89)71-47(33-40-21-12-7-13-22-40)60(86)73-49(36-92)65(91)76-30-18-27-50(76)62(88)70-46(32-39-19-10-6-11-20-39)59(85)72-48(35-77)61(87)69-45(56(67)82)31-37(2)3/h8-9,14-17,23-26,37-40,43-50,53-55,77,92H,5-7,10-13,18-22,27-36,66H2,1-4H3,(H2,67,82)(H,68,83)(H,69,87)(H,70,88)(H,71,89)(H,72,85)(H,73,86)(H,74,90)(H,75,84)(H,78,79)(H,80,81)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1

InChIKey

HMOKGVPWIHJZRY-IOGXYOAJSA-N

Compound name

(4S)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485567