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

Structural Information

Molecular Formula

C₆₈H₁₀₁N₁₁O₁₆S

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](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)NC(=O)C

InChI

InChI=1S/C68H101N11O16S/c1-7-40(4)57(76-66(93)58(56(44-25-16-10-17-26-44)45-27-18-11-19-28-45)77-60(87)46(30-31-54(82)83)71-62(89)49(36-55(84)85)70-41(5)81)68(95)78(6)53(35-43-23-14-9-15-24-43)65(92)75-51(38-96)67(94)79-32-20-29-52(79)64(91)73-48(34-42-21-12-8-13-22-42)61(88)74-50(37-80)63(90)72-47(59(69)86)33-39(2)3/h10-11,16-19,25-28,39-40,42-43,46-53,56-58,80,96H,7-9,12-15,20-24,29-38H2,1-6H3,(H2,69,86)(H,70,81)(H,71,89)(H,72,90)(H,73,91)(H,74,88)(H,75,92)(H,76,93)(H,77,87)(H,82,83)(H,84,85)/t40-,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-/m0/s1

InChIKey

ONVDVDNSLATHSM-YXZBRZOASA-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)-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]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485554