Ac-asp-glu-dif-ile-cha-cysppro-nle-ser-leu-nh2

Structural Information

Molecular Formula

C₆₀H₈₉N₁₁O₁₅S

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](CC)C(=O)N[C@@H](CO)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)N

InChI

InChI=1S/C60H89N11O15S/c1-6-34(5)49(69-59(85)50(48(36-20-13-9-14-21-36)37-22-15-10-16-23-37)70-54(80)40(25-26-46(73)74)64-52(78)38(61)30-47(75)76)58(84)66-42(29-35-18-11-8-12-19-35)55(81)68-44(32-87)60(86)71-27-17-24-45(71)57(83)63-39(7-2)53(79)67-43(31-72)56(82)65-41(51(62)77)28-33(3)4/h9-10,13-16,20-23,33-35,38-45,48-50,72,87H,6-8,11-12,17-19,24-32,61H2,1-5H3,(H2,62,77)(H,63,83)(H,64,78)(H,65,82)(H,66,84)(H,67,79)(H,68,81)(H,69,85)(H,70,80)(H,73,74)(H,75,76)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1

InChIKey

IDZOGJZJDAIQRD-FJSUVOSGSA-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]-1-oxobutan-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 485566