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

Structural Information

Molecular Formula

C₇₀H₁₀₄N₁₂O₁₆S

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](CCC(=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/C70H104N12O16S/c1-7-41(4)59(79-68(96)60(58(45-25-16-10-17-26-45)46-27-18-11-19-28-46)80-63(91)48(31-33-56(85)86)75-65(93)51(38-57(87)88)73-42(5)83)70(98)81(6)54(37-44-23-14-9-15-24-44)67(95)78-52(39-99)69(97)82-34-20-29-53(82)66(94)77-50(36-43-21-12-8-13-22-43)64(92)74-47(30-32-55(71)84)62(90)76-49(61(72)89)35-40(2)3/h10-11,16-19,25-28,40-41,43-44,47-54,58-60,99H,7-9,12-15,20-24,29-39H2,1-6H3,(H2,71,84)(H2,72,89)(H,73,83)(H,74,92)(H,75,93)(H,76,90)(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,85,86)(H,87,88)/t41-,47-,48-,49-,50-,51-,52-,53-,54-,59-,60-/m0/s1

InChIKey

YTSZWZBCDWXAHO-SMTVEWQLSA-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)-5-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-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 485556