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

Structural Information

Molecular Formula

C₆₉H₁₀₂N₁₂O₁₆S

SMILES

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

InChI

InChI=1S/C69H102N12O16S/c1-7-40(4)58(78-67(95)59(57(44-25-16-10-17-26-44)45-27-18-11-19-28-45)79-61(89)46(30-31-55(84)85)73-64(92)50(37-56(86)87)72-41(5)82)69(97)80(6)53(35-43-23-14-9-15-24-43)66(94)77-51(38-98)68(96)81-32-20-29-52(81)65(93)76-48(34-42-21-12-8-13-22-42)62(90)75-49(36-54(70)83)63(91)74-47(60(71)88)33-39(2)3/h10-11,16-19,25-28,39-40,42-43,46-53,57-59,98H,7-9,12-15,20-24,29-38H2,1-6H3,(H2,70,83)(H2,71,88)(H,72,82)(H,73,92)(H,74,91)(H,75,90)(H,76,93)(H,77,94)(H,78,95)(H,79,89)(H,84,85)(H,86,87)/t40-,46-,47-,48-,49-,50-,51-,52-,53-,58-,59-/m0/s1

InChIKey

FUUAGZBSGHATHT-MVBAKVTHSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-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]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485558