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

Structural Information

Molecular Formula

C₇₁H₁₀₀N₁₂O₁₆S

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](CCC3=CC=CC=C3)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/C71H100N12O16S/c1-7-42(4)60(80-69(97)61(59(46-25-16-10-17-26-46)47-27-18-11-19-28-47)81-65(93)50(33-35-57(86)87)76-66(94)52(39-58(88)89)74-43(5)84)71(99)82(6)55(38-45-23-14-9-15-24-45)68(96)79-53(40-100)70(98)83-36-20-29-54(83)67(95)77-48(31-30-44-21-12-8-13-22-44)63(91)75-49(32-34-56(72)85)64(92)78-51(62(73)90)37-41(2)3/h8,10-13,16-19,21-22,25-28,41-42,45,48-55,59-61,100H,7,9,14-15,20,23-24,29-40H2,1-6H3,(H2,72,85)(H2,73,90)(H,74,84)(H,75,91)(H,76,94)(H,77,95)(H,78,92)(H,79,96)(H,80,97)(H,81,93)(H,86,87)(H,88,89)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1

InChIKey

WSTANVVTUKSENH-OUEUKKOOSA-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]-1-oxo-4-phenylbutan-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 485559