Ac-asp-glu-dif-ile-cha-cys-pro-nle-ser-tyr

Structural Information

Molecular Formula

C₆₇H₉₃N₁₁O₁₇S

SMILES

CCC[C@@H](C(=O)N[C@@H](CO)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/C67H93N11O17S/c1-6-18-45(59(87)73-49(36-79)62(90)72-47(58(68)86)33-41-26-28-44(81)29-27-41)71-63(91)51-25-17-32-78(51)66(94)50(37-96)74-64(92)52(34-40-19-11-8-12-20-40)77(5)67(95)56(38(3)7-2)75-65(93)57(55(42-21-13-9-14-22-42)43-23-15-10-16-24-43)76-60(88)46(30-31-53(82)83)70-61(89)48(35-54(84)85)69-39(4)80/h9-10,13-16,21-24,26-29,38,40,45-52,55-57,79,81,96H,6-8,11-12,17-20,25,30-37H2,1-5H3,(H2,68,86)(H,69,80)(H,70,89)(H,71,91)(H,72,90)(H,73,87)(H,74,92)(H,75,93)(H,76,88)(H,82,83)(H,84,85)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1

InChIKey

VASVNHALATZILK-QMNYNALRSA-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-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-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 485550