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

Structural Information

Molecular Formula

C₆₉H₉₆N₁₂O₁₇S

SMILES

CCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)N(C)C(=O)[C@H]([C@@H](C)CC)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/C69H96N12O17S/c1-6-18-46(61(90)73-47(30-32-54(70)84)62(91)76-49(60(71)89)35-42-26-28-45(83)29-27-42)75-65(94)52-25-17-34-81(52)68(97)51(38-99)77-66(95)53(36-41-19-11-8-12-20-41)80(5)69(98)58(39(3)7-2)78-67(96)59(57(43-21-13-9-14-22-43)44-23-15-10-16-24-44)79-63(92)48(31-33-55(85)86)74-64(93)50(37-56(87)88)72-40(4)82/h9-10,13-16,21-24,26-29,39,41,46-53,57-59,83,99H,6-8,11-12,17-20,25,30-38H2,1-5H3,(H2,70,84)(H2,71,89)(H,72,82)(H,73,90)(H,74,93)(H,75,94)(H,76,91)(H,77,95)(H,78,96)(H,79,92)(H,85,86)(H,87,88)/t39-,46-,47-,48-,49-,50-,51-,52-,53-,58-,59-/m0/s1

InChIKey

YGEWJGUCYZUYOF-NZHCPGHCSA-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-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopentan-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 16130592